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

Systemtic Name: 2-heptylsulfanyl-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-heptylsulfanyl-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(heptylthio)-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-heptylsulfanyl-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(heptylthio)-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H32N2O2S2 MolecularWeight: 456.66378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32N2O2S2/c1-4-5-6-7-8-15-30-25-26-23-22(20-14-9-17(2)16-21(20)31-23)24(28)27(25)18-10-12-19(29-3)13-11-18/h10-13,17H,4-9,14-16H2,1-3H3