methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC(C)CCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N[C@H](C)CCC

InChI

InChI=1S/C21H29N3O4S/c1-5-7-11-24-19(26)16-10-9-15(20(27)28-4)12-17(16)23-21(24)29-13-18(25)22-14(3)8-6-2/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,22,25)/t14-/m1/s1