N-[(1R,2S)-2-methylcyclohexyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=C(C(=O)N2CC=C)SC=C3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=C(C(=O)N2CC=C)SC=C3

InChI

InChI=1S/C18H23N3O2S2/c1-3-9-21-17(23)16-14(8-10-24-16)20-18(21)25-11-15(22)19-13-7-5-4-6-12(13)2/h3,8,10,12-13H,1,4-7,9,11H2,2H3,(H,19,22)/t12-,13+/m0/s1