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

Systemtic Name: methyl 2-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(C)C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C21H29N3O4S/c1-12(2)10-24-19(26)16-8-7-15(20(27)28-6)9-17(16)23-21(24)29-11-18(25)22-14(5)13(3)4/h7-9,12-14H,10-11H2,1-6H3,(H,22,25)/t14-/m1/s1