N-(3-cyanothiophen-2-yl)-2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(3-cyano-2-thienyl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(3-cyano-2-thienyl)acetamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=C(C=CS5)C#N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=C(C=CS5)C#N

InChI

InChI=1S/C24H22N6O3S/c25-12-17-10-11-34-22(17)27-19(31)14-29-23(32)20-21(26-15-30(20)18-8-4-5-9-18)28(24(29)33)13-16-6-2-1-3-7-16/h1-3,6-7,10-11,15,18H,4-5,8-9,13-14H2,(H,27,31)