2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C

InChI

InChI=1S/C27H25N3O2S2/c1-3-14-30-26(32)23-22(20-10-5-4-6-11-20)17-33-24(23)28-27(30)34-18(2)25(31)29-15-13-19-9-7-8-12-21(19)16-29/h3-12,17-18H,1,13-16H2,2H3/t18-/m0/s1