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gisadenafil

PropertiesImage
MNX_IDMNXM54991 Image of MNXM54991
referencechebi:229886
formulaC23H33N7O5S
global charge0
mol weight519.628
InChIKeyYPFZMBHKIVDSNR-UHFFFAOYSA-N
InChIInChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
SMILESCCOC1=C(C2=NC3=C(CC)N(CCOC)N=C3C(=O)N2)C=C(S(=O)(=O)N2CCN(CC)CC2)C=N1
MNX internals
InChI (mnx)InChI=1/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31) Image of MNXM54991
SMILES (mnx)[CH3:1][CH2:5][C:18]1=[C:19]2[C:20](=[N:27][N:30]1[CH2:12][CH2:13][O:34][CH3:4])[C:22](=[O:31])[N:26]=[C:21]([C:17]1=[C:23]([O:35][CH2:7][CH3:3])[N:24]=[CH:15][C:16]([S:36]([N:29]3[CH2:10][CH2:8][N:28]([CH2:6][CH3:2])[CH2:9][CH2:11]3)(=[O:32])=[O:33])=[CH:14]1)[NH:25]2
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

CHEBI:229886
chebi:229886
YPFZMBHKIVDSNR-UHFFFAOYSA-N
gisadenafil
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulonylpyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

kegg.drug:D09621
keggD:D09621
YPFZMBHKIVDSNR-UHFFFAOYSA-N
Gisadenafil (USAN/INN)

keggD:M_D09621
secondary/obsolete/fantasy identifier