5-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-(4-chlorophenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(4-chlorophenyl)-2-[(2-keto-2-morpholino-ethyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCOCC3)SC=C2C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCOCC3)SC=C2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-2-7-25-20(27)18-16(14-3-5-15(22)6-4-14)12-29-19(18)23-21(25)30-13-17(26)24-8-10-28-11-9-24/h2-6,12H,1,7-11,13H2