5-(4-chlorophenyl)-6-[[(3-nitrophenyl)amino]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-(4-chlorophenyl)-6-[[(3-nitrophenyl)amino]methyl]pyrimidine-2,4-diamine Openeye Name: 5-(4-chlorophenyl)-6-[(3-nitroanilino)methyl]pyrimidine-2,4-diamine CAS Name: 5-(4-chlorophenyl)-6-[(3-nitroanilino)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-(4-chlorophenyl)-6-[(3-nitroanilino)methyl]pyrimidine-2,4-diamine Traditional Name: [2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methyl-(3-nitrophenyl)amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl

InChI

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