5,6-dimethyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-(4-oxo-4-phenyl-butyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(4-oxo-4-phenylbutyl)thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-(4-oxo-4-phenylbutyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-keto-4-phenyl-butyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)C3=CC=CC=C3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)C3=CC=CC=C3)CC=C)C

InChI

InChI=1S/C21H22N2O2S2/c1-4-12-23-20(25)18-14(2)15(3)27-19(18)22-21(23)26-13-8-11-17(24)16-9-6-5-7-10-16/h4-7,9-10H,1,8,11-13H2,2-3H3