8-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyquinoline

Systemtic Name: 8-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyquinoline Openeye Name: 8-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyquinoline CAS Name: 8-[[1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]quinoline IUPAC Name: 8-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyquinoline Traditional Name: 8-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyquinoline Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=CC5=C4N=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=CC5=C4N=CC=C5)Cl

InChI

InChI=1S/C21H14ClN5O/c1-13-7-8-15(10-17(13)22)27-20-16(11-26-27)21(25-12-24-20)28-18-6-2-4-14-5-3-9-23-19(14)18/h2-12H,1H3