ethyl 4-azanyl-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H24N4O5S/c1-4-28-18(25)13-10-22-19(23-17(13)20)29-11-16(24)21-8-7-12-5-6-14(26-2)15(9-12)27-3/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,21,24)(H2,20,22,23)