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

Systemtic Name: N-(1-adamantyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CS5)C(=O)N4CC=C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CS5)C(=O)N4CC=C

InChI

InChI=1S/C22H27N3O2S2/c1-3-5-25-20(27)17-4-6-28-19(17)23-21(25)29-13(2)18(26)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-4,6,13-16H,1,5,7-12H2,2H3,(H,24,26)