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

Systemtic Name: 5-nitro-N2-phenyl-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-5-nitro-N2-phenyl-pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N2-phenyl-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (6-amino-2-anilino-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

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