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

Systemtic Name: methyl 2-[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-5-7-10-23-18(25)15-9-8-14(19(26)27-4)11-16(15)22-20(23)28-12-17(24)21-13(3)6-2/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,21,24)/t13-/m1/s1