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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-cumidino-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:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H22N4O3S/c1-4-25-17(24)14-9-20-18(22-16(14)19)26-10-15(23)21-13-7-5-12(6-8-13)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,21,23)(H2,19,20,22)