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

Systemtic Name: methyl 4-oxidanylidene-3-[4-oxidanylidene-4-(oxolan-2-ylmethylamino)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[4-oxo-4-(tetrahydrofuran-2-ylmethylamino)butyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[4-oxo-4-(2-oxolanylmethylamino)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-keto-4-(tetrahydrofurfurylamino)butyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-26-18(25)12-6-7-14-15(10-12)21-19(28)22(17(14)24)8-2-5-16(23)20-11-13-4-3-9-27-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,20,23)(H,21,28)