ethanoic acid; 1-(1-methylpiperidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: ethanoic acid; 1-(1-methylpiperidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: acetic acid; 1-(1-methyl-3-piperidyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: acetic acid; 1-(1-methyl-3-piperidinyl)-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: acetic acid; 1-(1-methylpiperidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: acetic acid; [1-(1-methyl-3-piperidyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

CC(=O)O.CN1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C23H24N6O.C2H4O2/c1-28-13-5-6-17(14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-19(12-10-16)30-18-7-3-2-4-8-18;1-2(3)4/h2-4,7-12,15,17H,5-6,13-14H2,1H3,(H2,24,25,26);1H3,(H,3,4)