N-(3-chloranyl-4-methoxy-phenyl)-1,6-diphenyl-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1,6-diphenyl-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1,6-diphenyl-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride CAS Name: N-(3-chloro-4-methoxyphenyl)-1,6-diphenyl-4-pyrazolo[3,4-d]pyrimidinamine hydrochloride IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1,6-diphenylpyrazolo[3,4-d]pyrimidin-4-amine hydrochloride Traditional Name: (3-chloro-4-methoxy-phenyl)-(1,6-diphenylpyrazolo[3,4-d]pyrimidin-4-yl)amine hydrochloride Formula: C24H19Cl2N5O MolecularWeight: 464.34656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5)Cl.Cl

InChI

InChI=1S/C24H18ClN5O.ClH/c1-31-21-13-12-17(14-20(21)25)27-23-19-15-26-30(18-10-6-3-7-11-18)24(19)29-22(28-23)16-8-4-2-5-9-16;/h2-15H,1H3,(H,27,28,29);1H