5-nitro-N4-phenyl-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-nitro-N4-phenyl-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N4-phenyl-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (4-amino-6-anilino-5-nitro-pyrimidin-2-yl)-benzyl-amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H16N6O2/c18-15-14(23(24)25)16(20-13-9-5-2-6-10-13)22-17(21-15)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21,22)