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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]pyrazine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]pyrazine-2-carboxamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-pyrazinecarboxamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]pyrazine-2-carboxamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]pyrazinamide Formula: C24H27N9O4 MolecularWeight: 505.52908

Click to see the large picture

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=NC=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H23N9O2.C2H4O2/c1-33-17-10-13(2-3-15(17)29-22(32)16-11-25-8-9-26-16)19-18-20(23)27-12-28-21(18)31(30-19)14-4-6-24-7-5-14;1-2(3)4/h2-3,8-12,14,24H,4-7H2,1H3,(H,29,32)(H2,23,27,28);1H3,(H,3,4)