methyl 3-butyl-4-oxidanylidene-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(2-isopropylthiazol-4-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[(2-propan-2-yl-4-thiazolyl)methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-butyl-2-[(2-isopropylthiazol-4-yl)methylthio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CSC(=N3)C(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CSC(=N3)C(C)C

InChI

InChI=1S/C21H25N3O3S2/c1-5-6-9-24-19(25)16-8-7-14(20(26)27-4)10-17(16)23-21(24)29-12-15-11-28-18(22-15)13(2)3/h7-8,10-11,13H,5-6,9,12H2,1-4H3