8-chloranyl-2-[(3-oxidanylphenoxy)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-chloranyl-2-[(3-oxidanylphenoxy)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 8-chloro-2-[(3-hydroxyphenoxy)methyl]-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-chloro-2-[(3-hydroxyphenoxy)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-chloro-2-[(3-hydroxyphenoxy)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 8-chloro-2-[(3-hydroxyphenoxy)methyl]-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H11ClN2O3S MolecularWeight: 358.79884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)Cl)O

InChI

InChI=1S/C17H11ClN2O3S/c18-9-4-5-13-12(6-9)15-16(24-13)17(22)20-14(19-15)8-23-11-3-1-2-10(21)7-11/h1-7,21H,8H2,(H,19,20,22)