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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-propyl-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-propyl-benzamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-propylbenzamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-propylbenzamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-propyl-benzamide Formula: C29H35N7O4 MolecularWeight: 545.6327

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC.CC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC.CC(=O)O

InChI

InChI=1S/C27H31N7O2.C2H4O2/c1-3-4-17-5-7-18(8-6-17)27(35)32-21-10-9-19(15-22(21)36-2)24-23-25(28)30-16-31-26(23)34(33-24)20-11-13-29-14-12-20;1-2(3)4/h5-10,15-16,20,29H,3-4,11-14H2,1-2H3,(H,32,35)(H2,28,30,31);1H3,(H,3,4)