2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C16H15ClN6O5 MolecularWeight: 406.7805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN6O5/c1-8-4-5-9(6-10(8)23(27)28)18-11(24)7-22-12-13(19-15(22)17)20(2)16(26)21(3)14(12)25/h4-6H,7H2,1-3H3,(H,18,24)