6-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-[(2-chlorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2-chlorobenzyl)amine Formula: C17H12ClN7O2 MolecularWeight: 381.77588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C17H12ClN7O2/c18-12-6-2-1-5-11(12)9-19-16-15(25(26)27)17(21-10-20-16)24-14-8-4-3-7-13(14)22-23-24/h1-8,10H,9H2,(H,19,20,21)