(2R)-N-(1-adamantyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionamide Formula: C24H27N3O2S3 MolecularWeight: 485.68508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C(=CS5)C6=CC=CS6)C(=O)N4C

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C(=CS5)C6=CC=CS6)C(=O)N4C

InChI

InChI=1S/C24H27N3O2S3/c1-13(20(28)26-24-9-14-6-15(10-24)8-16(7-14)11-24)32-23-25-21-19(22(29)27(23)2)17(12-31-21)18-4-3-5-30-18/h3-5,12-16H,6-11H2,1-2H3,(H,26,28)/t13-,14?,15?,16?,24?/m1/s1