methyl 3-butyl-4-oxidanylidene-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4S/c1-3-4-12-28-22(29)18-11-10-17(23(30)31-2)14-19(18)25-24(28)33-15-21-26-20(27-32-21)13-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3