2-[2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]-ethyl-amino]-N-isopropyl-acetamide Formula: C21H29BrN4O3S MolecularWeight: 497.44896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)C

Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)C

InChI

InChI=1S/C21H29BrN4O3S/c1-6-25(11-18(27)23-14(4)5)19(28)12-30-21-24-17-8-7-15(22)9-16(17)20(29)26(21)10-13(2)3/h7-9,13-14H,6,10-12H2,1-5H3,(H,23,27)