N-cyclohexyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-ethanamide Openeye Name: N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenyl-acetamide CAS Name: N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenylacetamide IUPAC Name: N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide Traditional Name: N-cyclohexyl-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenyl-acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c1-23-19-18(20(28)24(2)21(23)29)25(14-22-19)13-17(27)26(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3