2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxylate

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxylate Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-pentyl-quinazoline-7-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-pentyl-7-quinazolinecarboxylate IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-pentylquinazoline-7-carboxylate Traditional Name: 3-amyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxylate Formula: C20H25N2O4S- MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C20H26N2O4S/c1-5-6-7-10-22-17(24)14-9-8-13(18(25)26)11-15(14)21-19(22)27-12-16(23)20(2,3)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,25,26)/p-1