2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O2S3 MolecularWeight: 405.55736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C18H19N3O2S3/c1-11-4-2-6-21(8-11)14(22)10-26-18-19-16(23)15-12(9-25-17(15)20-18)13-5-3-7-24-13/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,19,20,23)/t11-/m0/s1