5-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[(2R)-2-oxolanyl]methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4CCCO4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC[C@H]4CCCO4)CC=C

InChI

InChI=1S/C21H22N2O2S2/c1-3-10-23-20(24)18-17(15-8-6-14(2)7-9-15)13-26-19(18)22-21(23)27-12-16-5-4-11-25-16/h3,6-9,13,16H,1,4-5,10-12H2,2H3/t16-/m1/s1