N2-[(4-chlorophenyl)methyl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C19H19ClN6O2 MolecularWeight: 398.84616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H19ClN6O2/c1-11-3-8-15(9-12(11)2)23-18-16(26(27)28)17(21)24-19(25-18)22-10-13-4-6-14(20)7-5-13/h3-9H,10H2,1-2H3,(H4,21,22,23,24,25)