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

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(2-phenoxyethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(2-phenoxyethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(2-phenoxyethylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(2-phenoxyethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(2-phenoxyethylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCCOC3=CC=CC=C3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)SCCOC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O2S2/c1-4-13(2)12-16-14(3)26-19-17(16)18(23)21-20(22-19)25-11-10-24-15-8-6-5-7-9-15/h5-9,13H,4,10-12H2,1-3H3,(H,21,22,23)/t13-/m0/s1