N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-N1-pyrimidin-2-yl-cyclohexane-1,4-diamine; methanesulfonic acid

Systemtic Name: N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-N1-pyrimidin-2-yl-cyclohexane-1,4-diamine; methanesulfonic acid Openeye Name: N4-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-N1-pyrimidin-2-yl-cyclohexane-1,4-diamine; methanesulfonic acid CAS Name: N4-[4-(1-benzotriazolyl)-2-pyrimidinyl]-N1-(2-pyrimidinyl)cyclohexane-1,4-diamine; methanesulfonic acid IUPAC Name: 4-N-[4-(benzotriazol-1-yl)pyrimidin-2-yl]-1-N-pyrimidin-2-ylcyclohexane-1,4-diamine; methanesulfonic acid Traditional Name: [4-(benzotriazol-1-yl)pyrimidin-2-yl]-[4-(2-pyrimidylamino)cyclohexyl]amine; mesylic acid Formula: C21H25N9O3S MolecularWeight: 483.5467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N9.CH4O3S/c1-2-5-17-16(4-1)27-28-29(17)18-10-13-23-20(26-18)25-15-8-6-14(7-9-15)24-19-21-11-3-12-22-19;1-5(2,3)4/h1-5,10-15H,6-9H2,(H,21,22,24)(H,23,25,26);1H3,(H,2,3,4)