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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3/c1-12-7-8-16(28-2)15(9-12)24-19-17(25(26)27)18(22-11-23-19)21-10-13-5-3-4-6-14(13)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)