ethyl 4-azanyl-2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethoxy]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N5O6S/c1-3-32-21(30)17-12-24-22(25-20(17)23)34-14-19(29)33-13-18(28)27-10-8-26(9-11-27)15-4-6-16(31-2)7-5-15/h4-7,12H,3,8-11,13-14H2,1-2H3,(H2,23,24,25)