4-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]phenol

Systemtic Name: 4-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]phenol Openeye Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]phenol CAS Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitro-2-pyrimidinyl]amino]phenol IUPAC Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]phenol Traditional Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]phenol Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)O)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)O)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-12-16(23(25)26)17(22(2)14-6-4-3-5-7-14)21-18(19-12)20-13-8-10-15(24)11-9-13/h3-11,24H,1-2H3,(H,19,20,21)