2-[[8-(3-azanylpyrrolidin-1-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[8-(3-azanylpyrrolidin-1-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(3-aminopyrrolidin-1-yl)-1,3-dimethyl-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[8-(3-amino-1-pyrrolidinyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(3-aminopyrrolidin-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[8-(3-aminopyrrolidino)-2,6-diketo-1,3-dimethyl-purin-7-yl]methyl]benzonitrile Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(C3)N)CC4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(C3)N)CC4=CC=CC=C4C#N

InChI

InChI=1S/C19H21N7O2/c1-23-16-15(17(27)24(2)19(23)28)26(10-13-6-4-3-5-12(13)9-20)18(22-16)25-8-7-14(21)11-25/h3-6,14H,7-8,10-11,21H2,1-2H3