N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide; methanesulfonic acid

Systemtic Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide; methanesulfonic acid Openeye Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide; methanesulfonic acid CAS Name: N-[4-[[4-(1-benzotriazolyl)-2-pyrimidinyl]amino]cyclohexyl]methanesulfonamide; methanesulfonic acid IUPAC Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide; methanesulfonic acid Traditional Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide; mesylic acid Formula: C18H25N7O5S2 MolecularWeight: 483.565

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CCC(CC1)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3.CS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)NC1CCC(CC1)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3.CS(=O)(=O)O

InChI

InChI=1S/C17H21N7O2S.CH4O3S/c1-27(25,26)22-13-8-6-12(7-9-13)19-17-18-11-10-16(20-17)24-15-5-3-2-4-14(15)21-23-24;1-5(2,3)4/h2-5,10-13,22H,6-9H2,1H3,(H,18,19,20);1H3,(H,2,3,4)