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

Systemtic Name: methyl 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-[[2-(methylamino)-2-oxoethyl]thio]-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(methylamino)ethyl]thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

Isomeric SMILES

CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H]3CCCO3

InChI

InChI=1S/C18H21N3O5S/c1-19-15(22)10-27-18-20-14-8-11(17(24)25-2)5-6-13(14)16(23)21(18)9-12-4-3-7-26-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,22)/t12-/m1/s1