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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC(C)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC(C)C

InChI

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