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N-Desmethyl sildenafil (UK-103,320)

PropertiesImage
MNX_IDMNXM158495 Image of MNXM158495
referencehmdb:HMDB0060932
formulaC21H28N6O4S
global charge0
mol weight460.56
InChIKeyUZTKBZXHEOVDRL-UHFFFAOYSA-N
InChIInChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)
SMILESCCCC1=NN(C)C2=C1NC(C1=C(OCC)C=CC(S(=O)(=O)N3CCNCC3)=C1)=NC2=O
MNX internals
InChI (mnx)InChI=1/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28) Image of MNXM158495
SMILES (mnx)[CH3:1][CH2:4][CH2:6][C:16]1=[N:25][N:26]([CH3:3])[C:19]2=[C:18]1[N:23]=[C:20]([C:15]1=[C:17]([O:31][CH2:5][CH3:2])[CH:8]=[CH:7][C:14]([S:32]([N:27]3[CH2:11][CH2:9][NH:22][CH2:10][CH2:12]3)(=[O:29])=[O:30])=[CH:13]1)[NH:24][C:21]2=[O:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0060932
UZTKBZXHEOVDRL-UHFFFAOYSA-N 		N-Desmethyl sildenafil (UK-103,320)
1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-D)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate
5-[2-Ethoxy-5-(piperazine-1-sulphonyl)phenyl]-1-methyl-3-propyl-1H,6H,7H-pyrazolo[4,3-D]pyrimidin-7-one
5-[2-ethoxy-5-(piperazine-1-sulfonyl)phenyl]-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one
5-[2-ethoxy-5-(piperazine-1-sulfonyl)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
Acetildenafil
Citrate, sildenafil
Desmethyl sildenafil
Homosildenafil
Hydroxyhomosildenafil
Lactate, sildenafil
NCX 911
NCX-911
Nitrate, sildenafil
Revatio
Sildenafil
Sildenafil citrate
Sildenafil lactate
Sildenafil nitrate
Sildenafil, desmethyl
Viagra

hmdb:HMDB60932 		secondary/obsolete/fantasy identifier