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

Systemtic Name: N-(1-adamantyl)-2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(5-cyclopropyl-4-keto-3-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:

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C27H29N3O2S2/c31-22(29-27-11-16-8-17(12-27)10-18(9-16)13-27)15-34-26-28-24-23(21(14-33-24)19-6-7-19)25(32)30(26)20-4-2-1-3-5-20/h1-5,14,16-19H,6-13,15H2,(H,29,31)