methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[2-oxo-2-(pentylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[2-oxo-2-(pentylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[2-(amylamino)-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:

CCCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

Isomeric SMILES

CCCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

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