4-[2-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-purin-3-yl)ethyl]benzonitrile CAS Name: 4-[2-[8-cyclopentyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]ethyl]benzonitrile IUPAC Name: 4-[2-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propylpurin-3-yl)ethyl]benzonitrile Traditional Name: 4-[2-(7-benzyl-8-cyclopentyl-2,6-diketo-1-propyl-purin-3-yl)ethyl]benzonitrile Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5=CC=C(C=C5)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H31N5O2/c1-2-17-33-28(35)25-27(32(29(33)36)18-16-21-12-14-22(19-30)15-13-21)31-26(24-10-6-7-11-24)34(25)20-23-8-4-3-5-9-23/h3-5,8-9,12-15,24H,2,6-7,10-11,16-18,20H2,1H3