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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCCC4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCCC4)CC=C

InChI

InChI=1S/C24H27N3O2S2/c1-3-12-27-23(29)21-19(18-10-8-17(2)9-11-18)15-30-22(21)25-24(27)31-16-20(28)26-13-6-4-5-7-14-26/h3,8-11,15H,1,4-7,12-14,16H2,2H3