N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]propane-2-sulfonamide

Systemtic Name: N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]propane-2-sulfonamide Openeye Name: N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]propane-2-sulfonamide CAS Name: N-[[4-[[[4-(dimethylamino)-2-quinazolinyl]amino]methyl]cyclohexyl]methyl]-2-propanesulfonamide IUPAC Name: N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]propane-2-sulfonamide Traditional Name: N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]propane-2-sulfonamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC1CCC(CC1)CNC2=NC3=CC=CC=C3C(=N2)N(C)C

Isomeric SMILES

CC(C)S(=O)(=O)NCC1CCC(CC1)CNC2=NC3=CC=CC=C3C(=N2)N(C)C

InChI

InChI=1S/C21H33N5O2S/c1-15(2)29(27,28)23-14-17-11-9-16(10-12-17)13-22-21-24-19-8-6-5-7-18(19)20(25-21)26(3)4/h5-8,15-17,23H,9-14H2,1-4H3,(H,22,24,25)