methyl 3-(furan-2-ylmethyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-4-oxo-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[[(2R)-2-oxanyl]methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCCCO3)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC[C@H]3CCCCO3)CC4=CC=CO4

InChI

InChI=1S/C21H22N2O5S/c1-26-20(25)14-7-8-17-18(11-14)22-21(29-13-16-5-2-3-9-28-16)23(19(17)24)12-15-6-4-10-27-15/h4,6-8,10-11,16H,2-3,5,9,12-13H2,1H3/t16-/m1/s1