1-(2,4-dimethylphenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(2,4-dimethylphenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2,4-dimethylphenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2,4-dimethylphenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2,4-dimethylphenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2,4-dimethylphenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H17N5O3/c1-12-4-6-17(13(2)8-12)24-19-16(10-23-24)20(22-11-21-19)28-15-5-7-18(25(26)27)14(3)9-15/h4-11H,1-3H3