1-(3,4-dichlorophenyl)-4-(5-methyl-2-propan-2-yl-phenoxy)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3,4-dichlorophenyl)-4-(5-methyl-2-propan-2-yl-phenoxy)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3,4-dichlorophenyl)-4-(2-isopropyl-5-methyl-phenoxy)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3,4-dichlorophenyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3,4-dichlorophenyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3,4-dichlorophenyl)-4-(2-isopropyl-5-methyl-phenoxy)pyrazolo[3,4-d]pyrimidine Formula: C21H18Cl2N4O MolecularWeight: 413.29982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O/c1-12(2)15-6-4-13(3)8-19(15)28-21-16-10-26-27(20(16)24-11-25-21)14-5-7-17(22)18(23)9-14/h4-12H,1-3H3