2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C23H21N3O2S2/c1-4-10-26-14(2)11-17(15(26)3)19(27)13-30-23-24-21(28)20-18(12-29-22(20)25-23)16-8-6-5-7-9-16/h4-9,11-12H,1,10,13H2,2-3H3,(H,24,25,28)