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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-6-7-14(4)22-18(25)12-29-21-23-17-10-15(20(27)28-5)8-9-16(17)19(26)24(21)11-13(2)3/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,22,25)/t14-/m0/s1