6-ethyl-2-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-6-ethyl-2-[(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-6-ethyl-2-[[(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)S[C@H](C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O2S2/c1-5-11-23-20(25)17-12-16(6-2)27-19(17)22-21(23)26-14(4)18(24)15-9-7-13(3)8-10-15/h5,7-10,12,14H,1,6,11H2,2-4H3/t14-/m1/s1