N6-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H18ClN5O4 MolecularWeight: 415.83032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O4/c1-28-14-7-8-16(29-2)15(9-14)24-19-17(25(26)27)18(22-11-23-19)21-10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)