methyl 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-(3-phenoxypropylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-(3-phenoxypropylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(3-phenoxypropylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-oxolanylmethyl)-2-(3-phenoxypropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(oxolan-2-ylmethyl)-2-(3-phenoxypropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-(3-phenoxypropylthio)-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCOC3=CC=CC=C3)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCOC3=CC=CC=C3)CC4CCCO4

InChI

InChI=1S/C24H26N2O5S/c1-29-23(28)17-10-11-20-21(15-17)25-24(26(22(20)27)16-19-9-5-12-31-19)32-14-6-13-30-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,19H,5-6,9,12-14,16H2,1H3