2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CN3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CN3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N4OS/c1-13-6-4-7-14-19(13)23-18(24-20(14)26)12-25-11-5-9-16(25)21-22-15-8-2-3-10-17(15)27-21/h2-4,6-8,10,16H,5,9,11-12H2,1H3,(H,23,24,26)/t16-/m0/s1