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

Systemtic Name: N-butyl-2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-butyl-acetamide CAS Name: N-butyl-2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-butylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-butyl-acetamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-4-5-12-24-19(29)15-28-22(30)20-21(25-16-26(20)13-11-17(2)3)27(23(28)31)14-18-9-7-6-8-10-18/h6-10,16-17H,4-5,11-15H2,1-3H3,(H,24,29)