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

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(o-anisidino)pyrimidin-4-yl]amine Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O3/c1-27-15-5-3-2-4-14(15)23-18-16(24(25)26)17(21-11-22-18)20-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H2,20,21,22,23)