methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[(2R)-2-oxolanyl]methyl]-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC#C)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC#C)C[C@H]3CCCO3

InChI

InChI=1S/C20H21N3O5S/c1-3-8-21-17(24)12-29-20-22-16-10-13(19(26)27-2)6-7-15(16)18(25)23(20)11-14-5-4-9-28-14/h1,6-7,10,14H,4-5,8-9,11-12H2,2H3,(H,21,24)/t14-/m1/s1