2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(piperonylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H22N2O3S2/c1-4-11(2)7-14-12(3)27-19-17(14)18(23)21-20(22-19)26-9-13-5-6-15-16(8-13)25-10-24-15/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,21,22,23)/t11-/m0/s1