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

Systemtic Name: 5-(4-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]-5-(p-tolyl)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(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CN4C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CN4C)CC=C

InChI

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