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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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