ethyl 4-azanyl-2-[2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(4-methoxybenzoyl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(p-anisoylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-3-26-16(24)12-8-19-17(21-14(12)18)27-9-13(22)20-15(23)10-4-6-11(25-2)7-5-10/h4-8H,3,9H2,1-2H3,(H2,18,19,21)(H,20,22,23)