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

Systemtic Name: 2-heptylsulfanyl-5-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-heptylsulfanyl-5-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(heptylthio)-5-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-heptylsulfanyl-5-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(heptylthio)-5-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H30N2OS2 MolecularWeight: 426.6378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCCCCCCSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C24H30N2OS2/c1-3-4-5-6-10-16-28-24-25-22-21(20-17(2)12-11-15-19(20)29-22)23(27)26(24)18-13-8-7-9-14-18/h7-9,13-14,17H,3-6,10-12,15-16H2,1-2H3