2-[4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-isopentyloxyphenyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-isoamoxyphenyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

InChI

InChI=1S/C21H24N2O2S/c1-13(2)11-12-25-15-9-7-14(8-10-15)19-22-20(24)18-16-5-3-4-6-17(16)26-21(18)23-19/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,24)