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

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C19H19ClN6O4 MolecularWeight: 430.84496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6O4/c1-29-13-7-8-15(30-2)14(9-13)23-18-16(26(27)28)17(21)24-19(25-18)22-10-11-3-5-12(20)6-4-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24,25)