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

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(1-ethylpropyl)acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(1-ethylpropyl)acetamide Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CN1C(=O)C2=C(N=CN2CCC(C)C)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CN1C(=O)C2=C(N=CN2CCC(C)C)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N5O3/c1-5-19(6-2)26-20(30)15-29-23(31)21-22(25-16-27(21)13-12-17(3)4)28(24(29)32)14-18-10-8-7-9-11-18/h7-11,16-17,19H,5-6,12-15H2,1-4H3,(H,26,30)