5-[3-(2-ethylpiperidin-1-yl)-3-oxidanylidene-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(2-ethylpiperidin-1-yl)-3-oxidanylidene-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(2-ethyl-1-piperidyl)-3-oxo-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(2-ethyl-1-piperidinyl)-3-oxopropyl]-6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(2-ethylpiperidino)-3-keto-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CCN2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCC1CCCCN1C(=O)CCN2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5O2/c1-3-17-9-7-8-13-26(17)20(28)12-14-25-16(2)24-21-19(22(25)29)15-23-27(21)18-10-5-4-6-11-18/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3