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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C(C)(C)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C(C)(C)C)CC=C

InChI

InChI=1S/C22H24N2O2S2/c1-6-11-24-20(26)18-16(15-9-7-14(2)8-10-15)12-27-19(18)23-21(24)28-13-17(25)22(3,4)5/h6-10,12H,1,11,13H2,2-5H3