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

Systemtic Name: 2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-propyl-ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-propyl-acetamide CAS Name: 2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-propylacetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-propylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-propyl-acetamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-4-10-22-17(27)13-26-20(28)18-19(23-14-24(18)11-15(2)3)25(21(26)29)12-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,22,27)