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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3/c1-28-16-8-4-14(5-9-16)11-22-19-17(25(26)27)18(23-12-24-19)21-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24)