N-(4-morpholin-4-ylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-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-(4-morpholinophenyl)acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-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-(4-morpholinophenyl)acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N4CCOCC4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N4CCOCC4)SC=C2

InChI

InChI=1S/C21H22N4O3S2/c1-2-8-25-20(27)17-7-13-29-19(17)23-21(25)30-14-18(26)22-15-3-5-16(6-4-15)24-9-11-28-12-10-24/h2-7,13H,1,8-12,14H2,(H,22,26)