6-[(4-aminophenyl)methyl]-1-(2-chloranyl-6-methyl-phenyl)-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-aminophenyl)methyl]-1-(2-chloranyl-6-methyl-phenyl)-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-aminophenyl)methyl]-1-(2-chloro-6-methyl-phenyl)-3-isopropyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-aminophenyl)methyl]-1-(2-chloro-6-methylphenyl)-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-aminophenyl)methyl]-1-(2-chloro-6-methylphenyl)-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(4-aminobenzyl)-1-(2-chloro-6-methyl-phenyl)-3-isopropyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N2C3=NC(=NC(=O)C3=C(N2)C(C)C)CC4=CC=C(C=C4)N

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N2C3=NC(=NC(=O)C3=C(N2)C(C)C)CC4=CC=C(C=C4)N

InChI

InChI=1S/C22H22ClN5O/c1-12(2)19-18-21(28(27-19)20-13(3)5-4-6-16(20)23)25-17(26-22(18)29)11-14-7-9-15(24)10-8-14/h4-10,12,27H,11,24H2,1-3H3