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

Systemtic Name: 2-butylsulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-butylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(butylthio)-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-benzyl-2-butylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-(butylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2OS2/c1-2-3-13-25-21-22-19-18(16-11-7-8-12-17(16)26-19)20(24)23(21)14-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3