1-(6-chloranylpyridazin-3-yl)-3-methyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-3-methyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-(6-chloropyridazin-3-yl)-3-methyl-4-(6-methyl-4-oxo-chromen-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1-(6-chloro-3-pyridazinyl)-3-methyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1-(6-chloropyridazin-3-yl)-3-methyl-4-(6-methyl-4-oxochromen-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-(6-chloropyridazin-3-yl)-4-(4-keto-6-methyl-chromen-3-yl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C21H16ClN5O3 MolecularWeight: 421.83644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C3CC(=O)N=C4C3=C(NN4C5=NN=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C3CC(=O)N=C4C3=C(NN4C5=NN=C(C=C5)Cl)C

InChI

InChI=1S/C21H16ClN5O3/c1-10-3-4-15-13(7-10)20(29)14(9-30-15)12-8-18(28)23-21-19(12)11(2)26-27(21)17-6-5-16(22)24-25-17/h3-7,9,12,26H,8H2,1-2H3