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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-benzyl-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H16ClN5O3/c1-20-13-12(14(24)21(2)16(20)25)22(15(17)19-13)9-11(23)18-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23)