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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(5-methylfuran-2-yl)-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-(5-methyl-2-furyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-(5-methyl-2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-(5-methyl-2-furyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCCC4)CC=C

Isomeric SMILES

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCCC4)CC=C

InChI

InChI=1S/C22H25N3O3S2/c1-3-10-25-21(27)19-16(17-9-8-15(2)28-17)13-29-20(19)23-22(25)30-14-18(26)24-11-6-4-5-7-12-24/h3,8-9,13H,1,4-7,10-12,14H2,2H3