ethyl 4-azanyl-2-[2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethoxy]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N5O6S MolecularWeight: 421.42766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

InChI

InChI=1S/C17H19N5O6S/c1-3-27-16(26)10-7-19-17(21-14(10)18)29-9-13(24)28-8-12(23)20-15(25)11-5-4-6-22(11)2/h4-7H,3,8-9H2,1-2H3,(H2,18,19,21)(H,20,23,25)