methyl 2-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-(2-amino-2-oxo-1-phenyl-ethyl)sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[(2-amino-2-oxo-1-phenylethyl)thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxo-1-phenylethyl)sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 2-[(2-amino-2-keto-1-phenyl-ethyl)thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC(C3=CC=CC=C3)C(=O)N)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC(C3=CC=CC=C3)C(=O)N)CC4CCCO4

InChI

InChI=1S/C23H23N3O5S/c1-30-22(29)15-9-10-17-18(12-15)25-23(26(21(17)28)13-16-8-5-11-31-16)32-19(20(24)27)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16,19H,5,8,11,13H2,1H3,(H2,24,27)