7-methyl-2-(3-methylbutylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-methyl-2-(3-methylbutylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-methyl-2-(3-methylbutylthio)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-methyl-2-(3-methylbutylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(isoamylthio)-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS2/c1-14(2)11-12-26-22-23-20-19(17-10-9-15(3)13-18(17)27-20)21(25)24(22)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3