2-[[(3-hydroxyphenyl)amino]methyl]-8-thiophen-3-yl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(3-hydroxyphenyl)amino]methyl]-8-thiophen-3-yl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-hydroxyanilino)methyl]-8-(3-thienyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-hydroxyanilino)methyl]-8-(3-thiophenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-hydroxyanilino)methyl]-8-thiophen-3-yl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-hydroxyanilino)methyl]-8-(3-thienyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1=CC(=CC(=C1)O)NCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C21H15N3O2S2/c25-15-3-1-2-14(9-15)22-10-18-23-19-16-8-12(13-6-7-27-11-13)4-5-17(16)28-20(19)21(26)24-18/h1-9,11,22,25H,10H2,(H,23,24,26)