2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(furan-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-(furan-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-(2-furyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(furan-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-(2-furyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4=CC=CO4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4=CC=CO4

InChI

InChI=1S/C21H23N3O3S2/c1-2-9-24-20(26)18-15(16-8-7-12-27-16)13-28-19(18)22-21(24)29-14-17(25)23-10-5-3-4-6-11-23/h2,7-8,12-13H,1,3-6,9-11,14H2