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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-butyl-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-butyl-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-5-butyl-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-butyl-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-butyl-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-quinone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=O)C(=O)N(N2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCCCC1=C(NC2=C(C1=O)C(=O)N(N2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C18H18N4O2S/c1-3-4-7-11-10(2)19-16-14(15(11)23)17(24)22(21-16)18-20-12-8-5-6-9-13(12)25-18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,21,23)