N2-(3-chlorophenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-chlorophenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-(3-chlorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-chlorophenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(3-chlorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(3-chlorophenyl)amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN6O2/c18-12-7-4-8-13(9-12)21-17-22-15(19)14(24(25)26)16(23-17)20-10-11-5-2-1-3-6-11/h1-9H,10H2,(H4,19,20,21,22,23)