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

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H21ClN6O3 MolecularWeight: 416.86144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C19H21ClN6O3/c1-24-18-14(11-22-24)19(28)26(12-21-18)5-4-17(27)23-15-10-13(20)2-3-16(15)25-6-8-29-9-7-25/h2-3,10-12H,4-9H2,1H3,(H,23,27)