N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S)C

InChI

InChI=1S/C22H24N6O2S/c1-14-17-12-15(13-23-20(17)27(2)26-14)24-19(29)10-4-3-7-11-28-21(30)16-8-5-6-9-18(16)25-22(28)31/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,24,29)(H,25,31)