N-[cyclopropyl(phenyl)methyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[cyclopropyl(phenyl)methyl]acetamide CAS Name: N-[cyclopropyl(phenyl)methyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[cyclopropyl(phenyl)methyl]-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[cyclopropyl(phenyl)methyl]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(C3CC3)C4=CC=CC=C4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(C3CC3)C4=CC=CC=C4)SC=C2

InChI

InChI=1S/C21H21N3O2S2/c1-2-11-24-20(26)16-10-12-27-19(16)23-21(24)28-13-17(25)22-18(15-8-9-15)14-6-4-3-5-7-14/h2-7,10,12,15,18H,1,8-9,11,13H2,(H,22,25)