N-(1-adamantyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)SC(=C2)C6=CC=CC=C6

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)SC(=C2)C6=CC=CC=C6

InChI

InChI=1S/C27H29N3O2S2/c1-2-8-30-25(32)21-12-22(20-6-4-3-5-7-20)34-24(21)28-26(30)33-16-23(31)29-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-7,12,17-19H,1,8-11,13-16H2,(H,29,31)