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

Systemtic Name: 2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-(1-ethylpropyl)acetamide CAS Name: 2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-(1-ethylpropyl)acetamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CN1C(=O)C2=C(N=CN2CC(C)C)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CN1C(=O)C2=C(N=CN2CC(C)C)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3/c1-5-18(6-2)25-19(29)14-28-22(30)20-21(24-15-26(20)12-16(3)4)27(23(28)31)13-17-10-8-7-9-11-17/h7-11,15-16,18H,5-6,12-14H2,1-4H3,(H,25,29)