ethyl 4-[4-(3-oxidanylidenebutanoyl)piperazin-1-yl]-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(3-oxidanylidenebutanoyl)piperazin-1-yl]-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3-oxobutanoyl)piperazin-1-yl]-2-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 4-[4-(1,3-dioxobutyl)-1-piperazinyl]-2-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-oxobutanoyl)piperazin-1-yl]-2-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-acetoacetylpiperazino)-2-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C(=O)CC(=O)C)N3CCSCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C(=O)CC(=O)C)N3CCSCC3

InChI

InChI=1S/C19H27N5O4S/c1-3-28-18(27)15-13-20-19(24-8-10-29-11-9-24)21-17(15)23-6-4-22(5-7-23)16(26)12-14(2)25/h13H,3-12H2,1-2H3