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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C17H14N2O3S/c20-16-14-10-3-1-2-4-13(10)23-17(14)19-15(18-16)9-5-6-11-12(7-9)22-8-21-11/h5-7H,1-4,8H2,(H,18,19,20)