2-(1,3-benzothiazol-2-yl)-6-methyl-5-pentyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-6-methyl-5-pentyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-6-methyl-5-pentyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-6-methyl-5-pentyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-6-methyl-5-pentyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Traditional Name: 5-amyl-2-(1,3-benzothiazol-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-quinone Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC2=C(C1=O)C(=O)N(N2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCCCCC1=C(NC2=C(C1=O)C(=O)N(N2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H20N4O2S/c1-3-4-5-8-12-11(2)20-17-15(16(12)24)18(25)23(22-17)19-21-13-9-6-7-10-14(13)26-19/h6-7,9-10H,3-5,8H2,1-2H3,(H2,20,22,24)