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

Systemtic Name: N-butyl-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-butyl-acetamide CAS Name: N-butyl-2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-butylacetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-butyl-acetamide Formula: C23H29N5O3 MolecularWeight: 423.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=O)C2=C(N=CN2C3CCCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)CN1C(=O)C2=C(N=CN2C3CCCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3/c1-2-3-13-24-19(29)15-27-22(30)20-21(25-16-28(20)18-11-7-8-12-18)26(23(27)31)14-17-9-5-4-6-10-17/h4-6,9-10,16,18H,2-3,7-8,11-15H2,1H3,(H,24,29)