N-[4-chloranyl-3-[(3-methyl-4-oxidanylidene-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[4-chloranyl-3-[(3-methyl-4-oxidanylidene-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]phenyl]quinoline-8-sulfonamide Openeye Name: N-[4-chloro-3-[[3-methyl-4-oxo-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]quinoline-8-sulfonamide CAS Name: N-[4-chloro-3-[(3-methyl-4-oxo-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[4-chloro-3-[(3-methyl-4-oxo-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[4-chloro-3-[[4-keto-3-methyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]quinoline-8-sulfonamide Formula: C27H20ClN7O3S MolecularWeight: 558.0108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=C(C=CC(=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6)Cl

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=C(C=CC(=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6)Cl

InChI

InChI=1S/C27H20ClN7O3S/c1-16-23-26(31-25(32-27(23)36)18-9-12-29-13-10-18)35(33-16)15-19-14-20(7-8-21(19)28)34-39(37,38)22-6-2-4-17-5-3-11-30-24(17)22/h2-14,33-34H,15H2,1H3