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

Systemtic Name: 1-[3-[[6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-methylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-methylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3/c1-12-6-8-15(9-7-12)22-18-17(24(26)27)19(21-11-20-18)23-16-5-3-4-14(10-16)13(2)25/h3-11H,1-2H3,(H2,20,21,22,23)