1-[3-[[4-[(2-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[4-[(2-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[4-(2-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[4-(2-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[4-methyl-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]phenyl]ethanone Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=CC(=C2)C(=O)C)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=CC(=C2)C(=O)C)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-12-18(25(27)28)19(23-16-9-4-5-10-17(16)29-3)24-20(21-12)22-15-8-6-7-14(11-15)13(2)26/h4-11H,1-3H3,(H2,21,22,23,24)