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

Systemtic Name: 5-(4-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-keto-2-piperidino-ethyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC=C

InChI

InChI=1S/C23H25N3O2S2/c1-3-11-26-22(28)20-18(17-9-7-16(2)8-10-17)14-29-21(20)24-23(26)30-15-19(27)25-12-5-4-6-13-25/h3,7-10,14H,1,4-6,11-13,15H2,2H3