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

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H21ClN6O5S MolecularWeight: 480.92524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN6O5S/c1-24-18-14(11-22-24)19(28)25(12-21-18)5-4-17(27)23-13-2-3-15(20)16(10-13)32(29,30)26-6-8-31-9-7-26/h2-3,10-12H,4-9H2,1H3,(H,23,27)