N-(5-chloranyl-2-piperidin-1-yl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(5-chloranyl-2-piperidin-1-yl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[5-chloro-2-(1-piperidyl)phenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[5-chloro-2-(1-piperidinyl)phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-chloro-2-piperidin-1-ylphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-chloro-2-piperidino-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4

InChI

InChI=1S/C20H23ClN6O2/c1-25-19-15(12-23-25)20(29)27(13-22-19)10-7-18(28)24-16-11-14(21)5-6-17(16)26-8-3-2-4-9-26/h5-6,11-13H,2-4,7-10H2,1H3,(H,24,28)