N-[6-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]hexyl]-N-methyl-2,3-dihydro-1,4-benzoxathiine-3-carboxamide

Systemtic Name: N-[6-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]hexyl]-N-methyl-2,3-dihydro-1,4-benzoxathiine-3-carboxamide Openeye Name: N-[6-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]hexyl]-N-methyl-2,3-dihydro-1,4-benzoxathiine-3-carboxamide CAS Name: N-[6-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]hexyl]-N-methyl-2,3-dihydro-1,4-benzoxathiin-3-carboxamide IUPAC Name: N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-2,3-dihydro-1,4-benzoxathiine-3-carboxamide Traditional Name: N-[6-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]hexyl]-N-methyl-2,3-dihydro-1,4-benzoxathiin-3-carboxamide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCN(C)C(=O)C1COC2=CC=CC=C2S1)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CN(CCCCCCN(C)C(=O)C1COC2=CC=CC=C2S1)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C27H35N5O4S/c1-31(26(33)24-17-36-20-11-7-8-12-23(20)37-24)13-9-5-6-10-14-32(2)27-29-19-16-22(35-4)21(34-3)15-18(19)25(28)30-27/h7-8,11-12,15-16,24H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)