3-(3,3-diethoxypropyl)-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3,3-diethoxypropyl)-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3,3-diethoxypropyl)-2-methylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(3,3-diethoxypropyl)-2-(methylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3,3-diethoxypropyl)-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3,3-diethoxypropyl)-2-(methylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SC)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SC)OCC

InChI

InChI=1S/C18H22N2O3S2/c1-4-22-14(23-5-2)10-11-20-17(21)16-15(19-18(20)24-3)12-8-6-7-9-13(12)25-16/h6-9,14H,4-5,10-11H2,1-3H3