N-(3-chloranyl-4-methoxy-phenyl)-1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-methyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-1-methyl-4-(1-piperidinyl)-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-(1-methyl-4-piperidino-pyrazolo[3,4-d]pyrimidin-6-yl)amine Formula: C18H21ClN6O MolecularWeight: 372.85194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)OC)Cl)N4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)OC)Cl)N4CCCCC4

InChI

InChI=1S/C18H21ClN6O/c1-24-16-13(11-20-24)17(25-8-4-3-5-9-25)23-18(22-16)21-12-6-7-15(26-2)14(19)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,22,23)