N-(3-chloranyl-4-methoxy-phenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)OC)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)OC)Cl)C

InChI

InChI=1S/C20H18ClN5O/c1-12-4-6-15(8-13(12)2)26-20-16(10-24-26)19(22-11-23-20)25-14-5-7-18(27-3)17(21)9-14/h4-11H,1-3H3,(H,22,23,25)