N2-[(4-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C18H17ClN6O3 MolecularWeight: 400.81898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6O3/c1-28-14-8-6-13(7-9-14)22-17-15(25(26)27)16(20)23-18(24-17)21-10-11-2-4-12(19)5-3-11/h2-9H,10H2,1H3,(H4,20,21,22,23,24)