methyl 3-butyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylthio]quinazoline-7-carboxylic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(CC)C(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(CC)C(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C22H26N4O5S/c1-5-7-10-26-20(28)15-9-8-14(21(29)30-4)12-16(15)23-22(26)32-17(6-2)19(27)24-18-11-13(3)31-25-18/h8-9,11-12,17H,5-7,10H2,1-4H3,(H,24,25,27)