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

Systemtic Name: N4-(4-chlorophenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN5O2/c18-13-6-8-14(9-7-13)22-17-15(23(24)25)16(20-11-21-17)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,19,20,21,22)