2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-benzyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]thieno[3,2-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C21H23N3O2S2/c1-15-7-10-23(11-8-15)18(25)14-28-21-22-17-9-12-27-19(17)20(26)24(21)13-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3