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2-Phenylaminoadenosine

PropertiesImage
MNX_IDMNXM35420 Image of MNXM35420
referencechebi:175603
formulaC16H18N6O4
global charge0
mol weight358.358
InChIKeySCNILGOVBBRMBK-SDBHATRESA-N
InChIInChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
SMILESNC1=NC(NC2=CC=CC=C2)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1 Image of MNXM35420
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([N:19]=[C:16]2[NH:20][C:13]([NH2:17])=[C:10]3[C:14](=[N:21]2)[N:22]([C@H:15]2[C@H:12]([OH:25])[C@H:11]([OH:24])[C@@H:9]([CH2:6][OH:23])[O:26]2)[CH:7]=[N:18]3)[CH:5]=[CH:3]1
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:175603
chebi:175603
SCNILGOVBBRMBK-SDBHATRESA-N 		2-Phenylaminoadenosine
(2R,3R,4S,5R)-2-(6-amino-2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

CHEBI:91804
chebi:91804
SCNILGOVBBRMBK-UHFFFAOYSA-N 		2-(6-amino-2-anilino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
hmdb:HMDB0001069
SCNILGOVBBRMBK-UHFFFAOYSA-N 		2-Phenylaminoadenosine
2-[6-amino-2-(phenylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
6-amino-2-phenylamino-9-b-D-Ribofuranosyl-9H-purine
6-amino-2-phenylamino-9-beta-delta-Ribofuranosyl-9H-purine

hmdb:HMDB01069 		secondary/obsolete/fantasy identifier