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

Systemtic Name: methyl 3-butyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C20H22N4O5S/c1-4-5-8-24-18(26)14-7-6-13(19(27)28-3)10-15(14)21-20(24)30-11-17(25)22-16-9-12(2)29-23-16/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,22,23,25)