ethyl 4-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H29N5O4S/c1-2-31-22(29)27-9-7-26(8-10-27)20(28)16-32-21-17-5-3-4-6-18(17)23-19(24-21)15-25-11-13-30-14-12-25/h3-6H,2,7-16H2,1H3