(6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-4-methylsulfonyl-cyclohexa-2,4-dien-1-one dihydrochloride

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-4-methylsulfonyl-cyclohexa-2,4-dien-1-one dihydrochloride Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-4-methylsulfonyl-cyclohexa-2,4-dien-1-one dihydrochloride CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-4-methylsulfonyl-1-cyclohexa-2,4-dienone dihydrochloride IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-4-methylsulfonylcyclohexa-2,4-dien-1-one dihydrochloride Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-4-mesyl-cyclohexa-2,4-dien-1-one dihydrochloride Formula: C16H22Cl2N4O3S MolecularWeight: 421.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C2C=C(NC(=N2)N)C3CCCNC3)C(=O)C=C1.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=C/C(=C\2/C=C(NC(=N2)N)C3CCCNC3)/C(=O)C=C1.Cl.Cl

InChI

InChI=1S/C16H20N4O3S.2ClH/c1-24(22,23)11-4-5-15(21)12(7-11)14-8-13(19-16(17)20-14)10-3-2-6-18-9-10;;/h4-5,7-8,10,18H,2-3,6,9H2,1H3,(H3,17,19,20);2*1H/b14-12+;;