methyl 4-oxidanylidene-3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCC3CCCO3

InChI

InChI=1S/C17H19N3O5S/c1-24-16(23)10-4-5-12-13(7-10)19-17(26)20(15(12)22)9-14(21)18-8-11-3-2-6-25-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,26)