N4-(3-chlorophenyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O3/c1-26-14-7-5-12(6-8-14)21-16-15(23(24)25)17(20-10-19-16)22-13-4-2-3-11(18)9-13/h2-10H,1H3,(H2,19,20,21,22)