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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCC(C4)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCC(C4)N)N(C(=O)NC3=O)C

InChI

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