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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C17H17ClN6O6 MolecularWeight: 436.80648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O6/c1-4-30-9-5-6-10(11(7-9)24(28)29)19-12(25)8-23-13-14(20-16(23)18)21(2)17(27)22(3)15(13)26/h5-7H,4,8H2,1-3H3,(H,19,25)