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

Systemtic Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O2/c19-15-8-6-14(7-9-15)11-21-18-16(24(25)26)17(22-12-23-18)20-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,20,21,22,23)