2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-isopentyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-isoamyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H34N2OS2 MolecularWeight: 454.69096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(C)(C)C)SC4=C2CCCC4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(C)(C)C)SC4=C2CCCC4

InChI

InChI=1S/C26H34N2OS2/c1-17(2)14-15-28-24(29)22-20-8-6-7-9-21(20)31-23(22)27-25(28)30-16-18-10-12-19(13-11-18)26(3,4)5/h10-13,17H,6-9,14-16H2,1-5H3