2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-ethyl-5,6-dimethoxy-4-piperidin-4-yl-benzamide dihydrate

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-ethyl-5,6-dimethoxy-4-piperidin-4-yl-benzamide dihydrate Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-ethyl-5,6-dimethoxy-4-(4-piperidyl)benzamide dihydrate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-ethyl-5,6-dimethoxy-4-(4-piperidinyl)benzamide dihydrate IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-ethyl-5,6-dimethoxy-4-piperidin-4-ylbenzamide dihydrate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-3-ethyl-5,6-dimethoxy-4-(4-piperidyl)benzamide dihydrate Formula: C22H34N4O5S MolecularWeight: 466.59416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C2CCNCC2)OC)OC)C(=O)N)SC3=NC(=CC(=N3)C)C.O.O

Isomeric SMILES

CCC1=C(C(=C(C(=C1C2CCNCC2)OC)OC)C(=O)N)SC3=NC(=CC(=N3)C)C.O.O

InChI

InChI=1S/C22H30N4O3S.2H2O/c1-6-15-16(14-7-9-24-10-8-14)18(28-4)19(29-5)17(21(23)27)20(15)30-22-25-12(2)11-13(3)26-22;;/h11,14,24H,6-10H2,1-5H3,(H2,23,27);2*1H2