N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]isoquinoline-5-sulfonamide Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C25H20N6O2S/c1-17-7-8-20(31-34(32,33)24-6-2-4-18-15-27-12-9-21(18)24)14-23(17)30-25-28-13-10-22(29-25)19-5-3-11-26-16-19/h2-16,31H,1H3,(H,28,29,30)