1-(3-chloranyl-4-methyl-phenyl)-N-(phenylmethyl)-N-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-(phenylmethyl)-N-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-1-(3-chloro-4-methyl-phenyl)-N-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-chloro-4-methylphenyl)-N-(phenylmethyl)-N-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-1-(3-chloro-4-methylphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-isopropyl-amine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N(CC4=CC=CC=C4)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N(CC4=CC=CC=C4)C(C)C)Cl

InChI

InChI=1S/C22H22ClN5/c1-15(2)27(13-17-7-5-4-6-8-17)21-19-12-26-28(22(19)25-14-24-21)18-10-9-16(3)20(23)11-18/h4-12,14-15H,13H2,1-3H3