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

Systemtic Name: 4-[[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]phenol Openeye Name: 4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]phenol CAS Name: 4-[[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]methyl]phenol IUPAC Name: 4-[[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]methyl]phenol Traditional Name: 4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]phenol Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H14ClN5O3/c18-12-3-5-13(6-4-12)21-17-20-10-15(23(25)26)16(22-17)19-9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2,(H2,19,20,21,22)