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

Systemtic Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-benzyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]thieno[3,2-d]pyrimidin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C22H25N3O2S2/c1-2-17-10-6-7-12-24(17)19(26)15-29-22-23-18-11-13-28-20(18)21(27)25(22)14-16-8-4-3-5-9-16/h3-5,8-9,11,13,17H,2,6-7,10,12,14-15H2,1H3