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

Systemtic Name: 5-(5-methylfuran-2-yl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-(5-methyl-2-furyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(5-methyl-2-furanyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(5-methylfuran-2-yl)-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-(5-methyl-2-furyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC=C

Isomeric SMILES

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4)CC=C

InChI

InChI=1S/C21H23N3O3S2/c1-3-9-24-20(26)18-15(16-8-7-14(2)27-16)12-28-19(18)22-21(24)29-13-17(25)23-10-5-4-6-11-23/h3,7-8,12H,1,4-6,9-11,13H2,2H3