5-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2-methoxy-phenol Openeye Name: 5-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2-methoxy-phenol CAS Name: 5-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2-methoxyphenol IUPAC Name: 5-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2-methoxyphenol Traditional Name: 5-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2-methoxy-phenol Formula: C19H17ClN6O2 MolecularWeight: 396.83028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C19H17ClN6O2/c1-28-15-6-5-11(7-14(15)27)9-21-18-16-17(22-10-23-19(16)26-25-18)24-13-4-2-3-12(20)8-13/h2-8,10,27H,9H2,1H3,(H3,21,22,23,24,25,26)