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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCCCC3)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCCCC3)NC4=CC(=C(C=C4)OC)Cl

InChI

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