N4-(5-chloranyl-2-methoxy-phenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methoxy-phenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methoxy-phenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methoxyphenyl)-N6-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methoxyphenyl)-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methoxy-anilino)-5-nitro-pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3/c1-3-12-4-7-14(8-5-12)23-18-17(25(26)27)19(22-11-21-18)24-15-10-13(20)6-9-16(15)28-2/h4-11H,3H2,1-2H3,(H2,21,22,23,24)