7-tert-butyl-2-heptylsulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-tert-butyl-2-heptylsulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-7-tert-butyl-2-heptylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-(heptylthio)-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-benzyl-7-tert-butyl-2-heptylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-7-tert-butyl-2-(heptylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C28H38N2OS2 MolecularWeight: 482.74412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C28H38N2OS2/c1-5-6-7-8-12-17-32-27-29-25-24(26(31)30(27)19-20-13-10-9-11-14-20)22-16-15-21(28(2,3)4)18-23(22)33-25/h9-11,13-14,21H,5-8,12,15-19H2,1-4H3