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

Systemtic Name: methyl 4-oxidanylidene-3-[3-oxidanylidene-3-(oxolan-2-ylmethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[3-oxo-3-(tetrahydrofuran-2-ylmethylamino)propyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[3-oxo-3-(2-oxolanylmethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[3-keto-3-(tetrahydrofurfurylamino)propyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-25-17(24)11-4-5-13-14(9-11)20-18(27)21(16(13)23)7-6-15(22)19-10-12-3-2-8-26-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,19,22)(H,20,27)