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

Systemtic Name: ethyl 4-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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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)CC4CCCO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

InChI

InChI=1S/C21H26N4O5S/c1-2-29-21(28)24-9-7-23(8-10-24)18(26)14-5-6-16-17(12-14)22-20(31)25(19(16)27)13-15-4-3-11-30-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,22,31)