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

Systemtic Name: 5-nitro-N4-phenyl-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-phenyl-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-benzyl-amine Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2/c23-22(24)15-16(18-11-13-7-3-1-4-8-13)19-12-20-17(15)21-14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,18,19,20,21)