methyl 3-butyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCCC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCCC(C)C

InChI

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