1-[(2R)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[(2R)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2CN(C3=CC=CC=C3O2)C(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C22H22N4O3S2/c27-19(13-31-21-15-8-11-30-20(15)23-14-24-21)26-12-18(22(28)25-9-4-1-5-10-25)29-17-7-3-2-6-16(17)26/h2-3,6-8,11,14,18H,1,4-5,9-10,12-13H2/t18-/m1/s1