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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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