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

Systemtic Name: 3-[[2-[(3-hydroxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(3-hydroxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(3-hydroxyanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(3-hydroxyanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(3-hydroxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenol Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)O)NC3=CC(=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)O)NC3=CC(=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-10-15(22(25)26)16(19-11-4-2-6-13(23)8-11)21-17(18-10)20-12-5-3-7-14(24)9-12/h2-9,23-24H,1H3,(H2,18,19,20,21)