ethyl 4-[3-cyclohexyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-cyclohexyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-cyclohexyl-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-cyclohexyl-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-cyclohexyl-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H34N4O6S MolecularWeight: 530.63636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)C(=O)N1C4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)C(=O)N1C4CCCCC4

InChI

InChI=1S/C26H34N4O6S/c1-3-35-22(31)17-37-25-27-21-16-18(23(32)28-12-14-29(15-13-28)26(34)36-4-2)10-11-20(21)24(33)30(25)19-8-6-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3