3-[[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile CAS Name: 3-[[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 3-[(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)methyl]benzonitrile Traditional Name: 3-[(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)methyl]benzonitrile Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H23N5O2/c26-14-19-9-6-10-20(13-19)16-29-24(31)22-23(27-17-30(22)21-11-4-5-12-21)28(25(29)32)15-18-7-2-1-3-8-18/h1-3,6-10,13,17,21H,4-5,11-12,15-16H2