2-[1-[8-(1,4-diazepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]benzenecarbonitrile

Systemtic Name: 2-[1-[8-(1,4-diazepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]benzenecarbonitrile Openeye Name: 2-[1-[8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]butyl]benzonitrile CAS Name: 2-[1-[8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxo-7-purinyl]butyl]benzonitrile IUPAC Name: 2-[1-[8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]butyl]benzonitrile Traditional Name: 2-[1-[8-(1,4-diazepan-1-yl)-2,6-diketo-3-methyl-purin-7-yl]butyl]benzonitrile Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CCCC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H27N7O2/c1-3-7-17(16-9-5-4-8-15(16)14-23)29-18-19(27(2)22(31)26-20(18)30)25-21(29)28-12-6-10-24-11-13-28/h4-5,8-9,17,24H,3,6-7,10-13H2,1-2H3,(H,26,30,31)