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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3OS3 MolecularWeight: 415.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H21N3OS3/c1-4-11(2)9-13-12(3)26-19-17(13)18(24)22-20(23-19)25-10-16-21-14-7-5-6-8-15(14)27-16/h5-8,11H,4,9-10H2,1-3H3,(H,22,23,24)/t11-/m0/s1