5-azanyl-7-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]quinazoline-6-carboxamide

Systemtic Name: 5-azanyl-7-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]quinazoline-6-carboxamide Openeye Name: 5-amino-7-tert-butyl-2-methylsulfanyl-4-[3-[(2-morpholinoacetyl)amino]phenyl]quinazoline-6-carboxamide CAS Name: 5-amino-7-tert-butyl-2-(methylthio)-4-[3-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]-6-quinazolinecarboxamide IUPAC Name: 5-amino-7-tert-butyl-2-methylsulfanyl-4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]quinazoline-6-carboxamide Traditional Name: 5-amino-7-tert-butyl-2-(methylthio)-4-[3-[(2-morpholinoacetyl)amino]phenyl]quinazoline-6-carboxamide Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)NC(=O)CN4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)NC(=O)CN4CCOCC4

InChI

InChI=1S/C26H32N6O3S/c1-26(2,3)17-13-18-21(22(27)20(17)24(28)34)23(31-25(30-18)36-4)15-6-5-7-16(12-15)29-19(33)14-32-8-10-35-11-9-32/h5-7,12-13H,8-11,14,27H2,1-4H3,(H2,28,34)(H,29,33)