N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(4-methylphenyl)thiolane-3-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(4-methylphenyl)thiolane-3-carboxamide Openeye Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(p-tolyl)tetrahydrothiophene-3-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-5-(4-methylphenyl)-3-thiolanecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(4-methylphenyl)thiolane-3-carboxamide Traditional Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(p-tolyl)tetrahydrothiophene-3-carboxamide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(CS2)C(=O)NC3CCC(CC3)NC4=NC5=CC=CC=C5C(=N4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(CS2)C(=O)NC3CCC(CC3)NC4=NC5=CC=CC=C5C(=N4)N(C)C

InChI

InChI=1S/C28H35N5OS/c1-18-8-10-19(11-9-18)25-16-20(17-35-25)27(34)29-21-12-14-22(15-13-21)30-28-31-24-7-5-4-6-23(24)26(32-28)33(2)3/h4-11,20-22,25H,12-17H2,1-3H3,(H,29,34)(H,30,31,32)