8-oxidanyl-3-(phenylmethyl)-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 8-oxidanyl-3-(phenylmethyl)-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-8-hydroxy-2-(2-thienyl)benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 8-hydroxy-3-(phenylmethyl)-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-benzyl-8-hydroxy-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-8-hydroxy-2-(2-thienyl)benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H14N2O2S2 MolecularWeight: 390.47806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=C(S3)C(=CC=C4)O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=C(S3)C(=CC=C4)O)C5=CC=CS5

InChI

InChI=1S/C21H14N2O2S2/c24-15-9-4-8-14-17-20(27-18(14)15)22-19(16-10-5-11-26-16)23(21(17)25)12-13-6-2-1-3-7-13/h1-11,24H,12H2