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

Systemtic Name: methyl 3-butyl-2-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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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)(C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-6-7-10-26-19(28)16-9-8-15(20(29)30-5)11-17(16)24-21(26)31-12-18(27)25-22(4,13-23)14(2)3/h8-9,11,14H,6-7,10,12H2,1-5H3,(H,25,27)/t22-/m1/s1