methyl 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC

InChI

InChI=1S/C15H17BrN2O3S/c1-9(2)7-18-14(20)11-6-10(16)4-5-12(11)17-15(18)22-8-13(19)21-3/h4-6,9H,7-8H2,1-3H3