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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(3-methyl-4-propan-2-yl-phenoxy)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-isopropyl-3-methyl-phenoxy)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-isopropyl-3-methyl-phenoxy)pyrazolo[3,4-d]pyrimidine Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=C(C=C4)C(C)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=C(C=C4)C(C)C)C)Cl

InChI

InChI=1S/C22H21ClN4O/c1-13(2)18-8-7-17(9-15(18)4)28-22-19-11-26-27(21(19)24-12-25-22)16-6-5-14(3)20(23)10-16/h5-13H,1-4H3