2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]-3-phenyl-8-sulfanylidene-9H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]-3-phenyl-8-sulfanylidene-9H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3-phenyl-8-thioxo-9H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-3-phenyl-8-sulfanylidene-9H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3-phenyl-8-sulfanylidene-9H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-3-hydroxypyrrolidino]methyl]-3-phenyl-8-thioxo-9H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CC2=NC3=C(C(=O)N2C4=CC=CC=C4)SC5=C3CC(=S)C=C5

Isomeric SMILES

C1CN(C[C@H]1O)CC2=NC3=C(C(=O)N2C4=CC=CC=C4)SC5=C3CC(=S)C=C5

InChI

InChI=1S/C21H19N3O2S2/c25-14-8-9-23(11-14)12-18-22-19-16-10-15(27)6-7-17(16)28-20(19)21(26)24(18)13-4-2-1-3-5-13/h1-7,14,25H,8-12H2/t14-/m0/s1