2-[[6-methyl-8-oxidanylidene-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-methyl-8-oxidanylidene-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-methyl-8-oxo-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzonitrile CAS Name: 2-[[6-methyl-8-oxo-2-[[(3R)-3-pyrrolidinyl]methylamino]-7H-purin-9-yl]methyl]benzonitrile IUPAC Name: 2-[[6-methyl-8-oxo-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzonitrile Traditional Name: 2-[[8-keto-6-methyl-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzonitrile Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NCC3CCNC3)N(C(=O)N2)CC4=CC=CC=C4C#N

Isomeric SMILES

CC1=C2C(=NC(=N1)NC[C@@H]3CCNC3)N(C(=O)N2)CC4=CC=CC=C4C#N

InChI

InChI=1S/C19H21N7O/c1-12-16-17(25-18(23-12)22-10-13-6-7-21-9-13)26(19(27)24-16)11-15-5-3-2-4-14(15)8-20/h2-5,13,21H,6-7,9-11H2,1H3,(H,24,27)(H,22,23,25)/t13-/m1/s1