ethyl 4-azanyl-2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-4-12-8-6-7-11(3)15(12)21-14(23)10-26-18-20-9-13(16(19)22-18)17(24)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,21,23)(H2,19,20,22)