2-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C21H18ClN5 MolecularWeight: 375.85412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5=CC=CC=C5C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5=CC=CC=C5C4)Cl

InChI

InChI=1S/C21H18ClN5/c1-14-6-7-17(10-19(14)22)27-21-18(11-25-27)20(23-13-24-21)26-9-8-15-4-2-3-5-16(15)12-26/h2-7,10-11,13H,8-9,12H2,1H3