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

Systemtic Name: 3-methyl-4-[[2-[(2-methyl-4-oxidanyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-(4-hydroxy-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]-3-methyl-phenol CAS Name: 4-[[2-(4-hydroxy-2-methylanilino)-5-nitro-4-pyrimidinyl]amino]-3-methylphenol IUPAC Name: 4-[[2-(4-hydroxy-2-methylanilino)-5-nitropyrimidin-4-yl]amino]-3-methylphenol Traditional Name: 4-[[2-(4-hydroxy-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]-3-methyl-phenol Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)NC2=NC(=NC=C2[N+](=O)[O-])NC3=C(C=C(C=C3)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)NC2=NC(=NC=C2[N+](=O)[O-])NC3=C(C=C(C=C3)O)C

InChI

InChI=1S/C18H17N5O4/c1-10-7-12(24)3-5-14(10)20-17-16(23(26)27)9-19-18(22-17)21-15-6-4-13(25)8-11(15)2/h3-9,24-25H,1-2H3,(H2,19,20,21,22)