ethyl 4-morpholin-4-yl-1-(phenylmethyl)-6-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-morpholin-4-yl-1-(phenylmethyl)-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-morpholino-6-thioxo-pyrimidine-5-carboxylate CAS Name: 4-(4-morpholinyl)-1-(phenylmethyl)-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-morpholin-4-yl-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-benzyl-4-morpholino-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C18H21N3O3S/c1-2-24-18(22)15-16(20-8-10-23-11-9-20)19-13-21(17(15)25)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3