N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-N1-pyridin-2-yl-cyclohexane-1,4-diamine hydrochloride

Systemtic Name: N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-N1-pyridin-2-yl-cyclohexane-1,4-diamine hydrochloride Openeye Name: N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-N1-(2-pyridyl)cyclohexane-1,4-diamine hydrochloride CAS Name: N4-[4-(1-benzotriazolyl)-2-pyrimidinyl]-N1-(2-pyridinyl)cyclohexane-1,4-diamine hydrochloride IUPAC Name: 4-N-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine hydrochloride Traditional Name: [4-(benzotriazol-1-yl)pyrimidin-2-yl]-[4-(2-pyridylamino)cyclohexyl]amine hydrochloride Formula: C21H23ClN8 MolecularWeight: 422.91392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=CC=CC=N2)NC3=NC=CC(=N3)N4C5=CC=CC=C5N=N4.Cl

Isomeric SMILES

C1CC(CCC1NC2=CC=CC=N2)NC3=NC=CC(=N3)N4C5=CC=CC=C5N=N4.Cl

InChI

InChI=1S/C21H22N8.ClH/c1-2-6-18-17(5-1)27-28-29(18)20-12-14-23-21(26-20)25-16-10-8-15(9-11-16)24-19-7-3-4-13-22-19;/h1-7,12-16H,8-11H2,(H,22,24)(H,23,25,26);1H