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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-1-methyl-6-(4-methyl-1-piperazinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-[1-methyl-6-(4-methylpiperazino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H22ClN7O MolecularWeight: 387.86658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=NN3C)C(=N2)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=NN3C)C(=N2)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C18H22ClN7O/c1-24-6-8-26(9-7-24)18-22-16(13-11-20-25(2)17(13)23-18)21-12-4-5-15(27-3)14(19)10-12/h4-5,10-11H,6-9H2,1-3H3,(H,21,22,23)