2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H23N3O2S2 MolecularWeight: 473.60972

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC(=C2)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC(=C2)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S2/c1-2-13-29-25(31)21-15-22(19-9-4-3-5-10-19)33-24(21)27-26(29)32-17-23(30)28-14-12-18-8-6-7-11-20(18)16-28/h2-11,15H,1,12-14,16-17H2