ethyl 4-azanyl-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(p-phenetidino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C17H20N4O4S/c1-3-24-12-7-5-11(6-8-12)20-14(22)10-26-17-19-9-13(15(18)21-17)16(23)25-4-2/h5-9H,3-4,10H2,1-2H3,(H,20,22)(H2,18,19,21)