2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(5-ethyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-ethyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(5-ethyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-ethyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=C(S2)CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=C(S2)CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N4O3S2/c1-2-14-18(27)24-21(25(19(14)28)13-8-4-3-5-9-13)29-12-17(26)23-20-22-15-10-6-7-11-16(15)30-20/h3-5,8-9,28H,2,6-7,10-12H2,1H3,(H,22,23,26)