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

Systemtic Name: ethyl 4-azanyl-2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S/c1-3-24-14(23)9-7-17-15(19-12(9)16)25-8-11(21)18-13(22)10-5-4-6-20(10)2/h4-7H,3,8H2,1-2H3,(H2,16,17,19)(H,18,21,22)