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

Systemtic Name: N-butyl-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-butyl-acetamide CAS Name: N-butyl-2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-butylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-butyl-acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-4-5-11-23-18(28)14-27-21(29)19-20(24-15-25(19)12-16(2)3)26(22(27)30)13-17-9-7-6-8-10-17/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,23,28)