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

Systemtic Name: 3-[[4-[(2-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-(2-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-(2-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-methyl-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]phenol Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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