N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine Openeye Name: N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine CAS Name: N4-[4-(1-benzotriazolyl)-2-pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[4-(benzotriazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[4-(benzotriazol-1-yl)pyrimidin-2-yl]amine Formula: C16H19N7 MolecularWeight: 309.36896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(CCC1N)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H19N7/c17-11-5-7-12(8-6-11)19-16-18-10-9-15(20-16)23-14-4-2-1-3-13(14)21-22-23/h1-4,9-12H,5-8,17H2,(H,18,19,20)