4-[(5-cyano-4-morpholin-4-yl-pyrimidin-2-yl)amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

Systemtic Name: 4-[(5-cyano-4-morpholin-4-yl-pyrimidin-2-yl)amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Openeye Name: 4-[(5-cyano-4-morpholino-pyrimidin-2-yl)amino]-N-[3-(isopropylamino)propyl]benzenesulfonamide CAS Name: 4-[[5-cyano-4-(4-morpholinyl)-2-pyrimidinyl]amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide IUPAC Name: 4-[(5-cyano-4-morpholin-4-ylpyrimidin-2-yl)amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Traditional Name: 4-[(5-cyano-4-morpholino-pyrimidin-2-yl)amino]-N-[3-(isopropylamino)propyl]benzenesulfonamide Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCOCC3)C#N

Isomeric SMILES

CC(C)NCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCOCC3)C#N

InChI

InChI=1S/C21H29N7O3S/c1-16(2)23-8-3-9-25-32(29,30)19-6-4-18(5-7-19)26-21-24-15-17(14-22)20(27-21)28-10-12-31-13-11-28/h4-7,15-16,23,25H,3,8-13H2,1-2H3,(H,24,26,27)