N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]benzamide; ethanoic acid

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]benzamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]benzamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]benzamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzamide Formula: C26H29N7O4 MolecularWeight: 503.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H25N7O2.C2H4O2/c1-33-19-13-16(7-8-18(19)29-24(32)15-5-3-2-4-6-15)21-20-22(25)27-14-28-23(20)31(30-21)17-9-11-26-12-10-17;1-2(3)4/h2-8,13-14,17,26H,9-12H2,1H3,(H,29,32)(H2,25,27,28);1H3,(H,3,4)