methyl 2-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-14(2)7-8-16(5)24-20(27)13-31-23-25-19-11-17(22(29)30-6)9-10-18(19)21(28)26(23)12-15(3)4/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,24,27)/t16-/m0/s1