6-(2-azanylpyrimidin-5-yl)-N-(3-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-(2-azanylpyrimidin-5-yl)-N-(3-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(2-aminopyrimidin-5-yl)-N-(3-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(2-amino-5-pyrimidinyl)-N-(3-methoxyphenyl)-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(2-aminopyrimidin-5-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(2-aminopyrimidin-5-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H16N8O MolecularWeight: 348.36194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)C3=CN=C(N=C3)N)NC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)C3=CN=C(N=C3)N)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C17H16N8O/c1-25-16-13(9-21-25)15(22-11-4-3-5-12(6-11)26-2)23-14(24-16)10-7-19-17(18)20-8-10/h3-9H,1-2H3,(H2,18,19,20)(H,22,23,24)