2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenethyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenethylacetamide Traditional Name: N-benzyl-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenethyl-acetamide Formula: C24H24ClN5O3 MolecularWeight: 465.93206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN5O3/c1-27-21-20(22(32)28(2)24(27)33)30(23(25)26-21)16-19(31)29(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3