1-(3-chloranyl-4-methyl-phenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C22H21ClN6 MolecularWeight: 404.89534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H21ClN6/c1-16-7-8-18(13-20(16)23)29-22-19(14-26-29)21(24-15-25-22)28-11-9-27(10-12-28)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3