ethyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-2,6-dioxo-7-[2-(2-pyrimidinylthio)ethyl]-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-[2-(2-pyrimidylthio)ethyl]purin-8-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N8O4S MolecularWeight: 460.51006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H24N8O4S/c1-3-31-19(30)26-9-7-25(8-10-26)17-22-14-13(15(28)23-18(29)24(14)2)27(17)11-12-32-16-20-5-4-6-21-16/h4-6H,3,7-12H2,1-2H3,(H,23,28,29)