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

Systemtic Name: 2-[1-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]benzenecarbonitrile Openeye Name: 2-[1-[8-(3-amino-1-piperidyl)-3-methyl-2,6-dioxo-purin-7-yl]ethyl]benzonitrile CAS Name: 2-[1-[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-purinyl]ethyl]benzonitrile IUPAC Name: 2-[1-[8-(3-aminopiperidin-1-yl)-3-methyl-2,6-dioxopurin-7-yl]ethyl]benzonitrile Traditional Name: 2-[1-[8-(3-aminopiperidino)-2,6-diketo-3-methyl-purin-7-yl]ethyl]benzonitrile Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCCC(C4)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCCC(C4)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H23N7O2/c1-12(15-8-4-3-6-13(15)10-21)27-16-17(25(2)20(29)24-18(16)28)23-19(27)26-9-5-7-14(22)11-26/h3-4,6,8,12,14H,5,7,9,11,22H2,1-2H3,(H,24,28,29)