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

Systemtic Name: N-(1-adamantyl)-2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4N

InChI

InChI=1S/C24H26N4O2S2/c25-28-22(30)20-18(17-4-2-1-3-5-17)12-31-21(20)26-23(28)32-13-19(29)27-24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,12,14-16H,6-11,13,25H2,(H,27,29)