ethyl 4-[[3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-3-(2-methoxyethyl)-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

InChI

InChI=1S/C19H24N4O5S/c1-3-28-19(26)22-8-6-21(7-9-22)16(24)13-4-5-14-15(12-13)20-18(29)23(17(14)25)10-11-27-2/h4-5,12H,3,6-11H2,1-2H3,(H,20,29)