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

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-ethylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-ethylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-ethylanilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C17H20N4O3S/c1-3-11-7-5-6-8-13(11)20-14(22)10-25-17-19-9-12(15(18)21-17)16(23)24-4-2/h5-9H,3-4,10H2,1-2H3,(H,20,22)(H2,18,19,21)