ethanoic acid; 3-iodanyl-1-[1-(2-methoxyethyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: ethanoic acid; 3-iodanyl-1-[1-(2-methoxyethyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: acetic acid; 3-iodo-1-[1-(2-methoxyethyl)-3-piperidyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: acetic acid; 3-iodo-1-[1-(2-methoxyethyl)-3-piperidinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: acetic acid; 3-iodo-1-[1-(2-methoxyethyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: acetic acid; [3-iodo-1-[1-(2-methoxyethyl)-3-piperidyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C15H23IN6O3 MolecularWeight: 462.28599

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COCCN1CCCC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

Isomeric SMILES

CC(=O)O.COCCN1CCCC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

InChI

InChI=1S/C13H19IN6O.C2H4O2/c1-21-6-5-19-4-2-3-9(7-19)20-13-10(11(14)18-20)12(15)16-8-17-13;1-2(3)4/h8-9H,2-7H2,1H3,(H2,15,16,17);1H3,(H,3,4)