2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H27N3O2S3 MolecularWeight: 521.71718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)SC=C2C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S3/c1-2-12-30-26(32)24-21(22-9-6-15-33-22)17-34-25(24)28-27(30)35-18-23(31)29-13-10-20(11-14-29)16-19-7-4-3-5-8-19/h2-9,15,17,20H,1,10-14,16,18H2