1,3-dimethyl-5-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[[4-methyl-6-(N-methylanilino)-5-nitro-2-pyrimidinyl]amino]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzimidazol-2-one Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC3=C(C=C2)N(C(=O)N3C)C)N(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC3=C(C=C2)N(C(=O)N3C)C)N(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O3/c1-13-18(28(30)31)19(25(2)15-8-6-5-7-9-15)24-20(22-13)23-14-10-11-16-17(12-14)27(4)21(29)26(16)3/h5-12H,1-4H3,(H,22,23,24)