ethyl 4-azanyl-2-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[2-(o-tolyl)ethylamino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2=CC=CC=C2C

InChI

InChI=1S/C18H22N4O3S/c1-3-25-17(24)14-10-21-18(22-16(14)19)26-11-15(23)20-9-8-13-7-5-4-6-12(13)2/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,23)(H2,19,21,22)