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

Systemtic Name: 2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]-8-phenyl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-8-phenyl-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-8-phenyl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-8-phenyl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-3-hydroxypyrrolidino]methyl]-8-phenyl-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@H]1O)CC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N3O2S/c25-15-8-9-24(11-15)12-18-22-19-16-10-14(13-4-2-1-3-5-13)6-7-17(16)27-20(19)21(26)23-18/h1-7,10,15,25H,8-9,11-12H2,(H,22,23,26)/t15-/m0/s1