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

Systemtic Name: methyl 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(3-pyridylmethylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-oxolanylmethyl)-2-(3-pyridinylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-(3-pyridylmethylthio)-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)CC4CCCO4

InChI

InChI=1S/C21H21N3O4S/c1-27-20(26)15-6-7-17-18(10-15)23-21(29-13-14-4-2-8-22-11-14)24(19(17)25)12-16-5-3-9-28-16/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3