5-(4-methylphenyl)-2-(3-oxidanylidenebutylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-(3-oxidanylidenebutylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(3-oxobutylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(3-oxobutylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(3-oxobutylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(3-ketobutylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCC(=O)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCC(=O)C)CC=C

InChI

InChI=1S/C20H20N2O2S2/c1-4-10-22-19(24)17-16(15-7-5-13(2)6-8-15)12-26-18(17)21-20(22)25-11-9-14(3)23/h4-8,12H,1,9-11H2,2-3H3