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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-methylsulfonyl-benzamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-methylsulfonyl-benzamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-methylsulfonylbenzamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-methylsulfonylbenzamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-mesyl-benzamide Formula: C27H31N7O6S MolecularWeight: 581.64334

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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=C(C=C5)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N7O4S.C2H4O2/c1-36-20-13-16(5-8-19(20)30-25(33)15-3-6-18(7-4-15)37(2,34)35)22-21-23(26)28-14-29-24(21)32(31-22)17-9-11-27-12-10-17;1-2(3)4/h3-8,13-14,17,27H,9-12H2,1-2H3,(H,30,33)(H2,26,28,29);1H3,(H,3,4)