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

Systemtic Name: 2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]-8-thiophen-3-yl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-8-(3-thienyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-8-(3-thiophenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-8-thiophen-3-yl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-3-hydroxypyrrolidino]methyl]-8-(3-thienyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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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=CSC=C5

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S2/c23-13-3-5-22(8-13)9-16-20-17-14-7-11(12-4-6-25-10-12)1-2-15(14)26-18(17)19(24)21-16/h1-2,4,6-7,10,13,23H,3,5,8-9H2,(H,20,21,24)/t13-/m0/s1