4-[[2-azanyl-3-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-6-yl]oxy]-N-hexyl-N-(1-hydroxyethyl)butanamide

Systemtic Name: 4-[[2-azanyl-3-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-6-yl]oxy]-N-hexyl-N-(1-hydroxyethyl)butanamide Openeye Name: 4-[[2-amino-3-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]-4H-quinazolin-6-yl]oxy]-N-hexyl-N-(1-hydroxyethyl)butanamide CAS Name: 4-[[2-amino-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-4H-quinazolin-6-yl]oxy]-N-hexyl-N-(1-hydroxyethyl)butanamide IUPAC Name: 4-[[2-amino-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-4H-quinazolin-6-yl]oxy]-N-hexyl-N-(1-hydroxyethyl)butanamide Traditional Name: 4-[[2-amino-3-[2-(tert-amylamino)-2-keto-ethyl]-4H-quinazolin-6-yl]oxy]-N-hexyl-N-(1-hydroxyethyl)butyramide Formula: C27H45N5O4 MolecularWeight: 503.6773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)O)C(=O)CCCOC1=CC2=C(C=C1)N=C(N(C2)CC(=O)NC(C)(C)CC)N

Isomeric SMILES

CCCCCCN(C(C)O)C(=O)CCCOC1=CC2=C(C=C1)N=C(N(C2)CC(=O)NC(C)(C)CC)N

InChI

InChI=1S/C27H45N5O4/c1-6-8-9-10-15-32(20(3)33)25(35)12-11-16-36-22-13-14-23-21(17-22)18-31(26(28)29-23)19-24(34)30-27(4,5)7-2/h13-14,17,20,33H,6-12,15-16,18-19H2,1-5H3,(H2,28,29)(H,30,34)