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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18N6O5/c1-9-11(6-5-7-12(9)23(27)28)19-15(24)10(2)22-8-18-14-13(22)16(25)21(4)17(26)20(14)3/h5-8,10H,1-4H3,(H,19,24)