N-[3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-(3-pyridylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-(3-pyridinylmethylamino)-6-quinazolinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(3-pyridylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NCC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NCC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-29(27,28)26-18-6-2-5-16(10-18)17-7-8-20-19(11-17)21(25-14-24-20)23-13-15-4-3-9-22-12-15/h2-12,14,26H,13H2,1H3,(H,23,24,25)