N-(1-adamantyl)-2-[5-(furan-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-(furan-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-allyl-5-(2-furyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[5-(2-furanyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-allyl-5-(2-furyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)SC=C2C6=CC=CO6

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)SC=C2C6=CC=CO6

InChI

InChI=1S/C25H27N3O3S2/c1-2-5-28-23(30)21-18(19-4-3-6-31-19)13-32-22(21)26-24(28)33-14-20(29)27-25-10-15-7-16(11-25)9-17(8-15)12-25/h2-4,6,13,15-17H,1,5,7-12,14H2,(H,27,29)