N-(1-adamantylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=NC5=C4C=C(S5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=NC5=C4C=C(S5)C6=CC=CC=C6

InChI

InChI=1S/C25H26N4O2S2/c30-21(28-24(31)29-25-10-15-6-16(11-25)8-17(7-15)12-25)13-32-22-19-9-20(18-4-2-1-3-5-18)33-23(19)27-14-26-22/h1-5,9,14-17H,6-8,10-13H2,(H2,28,29,30,31)