ethyl 4-azanyl-2-[2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-[benzyl(tert-butyl)amino]-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-[benzyl(tert-butyl)amino]-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C22H28N4O5S/c1-5-30-20(29)16-11-24-21(25-19(16)23)32-14-18(28)31-13-17(27)26(22(2,3)4)12-15-9-7-6-8-10-15/h6-11H,5,12-14H2,1-4H3,(H2,23,24,25)