ethyl 4-(hydroxymethyl)-6-(4-methanoylpiperazin-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(hydroxymethyl)-6-(4-methanoylpiperazin-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-formylpiperazin-1-yl)-6-(hydroxymethyl)-2-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 4-(4-formyl-1-piperazinyl)-6-(hydroxymethyl)-2-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-formylpiperazin-1-yl)-6-(hydroxymethyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-formylpiperazino)-6-methylol-2-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1N2CCN(CC2)C=O)N3CCSCC3)CO

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1N2CCN(CC2)C=O)N3CCSCC3)CO

InChI

InChI=1S/C17H25N5O4S/c1-2-26-16(25)14-13(11-23)18-17(22-7-9-27-10-8-22)19-15(14)21-5-3-20(12-24)4-6-21/h12,23H,2-11H2,1H3