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

Systemtic Name: methyl 2-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[[2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl]thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=NOC(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

InChI

InChI=1S/C21H22N4O6S/c1-12-8-18(31-24-12)23-17(26)11-32-21-22-16-9-13(20(28)29-2)5-6-15(16)19(27)25(21)10-14-4-3-7-30-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,23,26)