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

Systemtic Name: ethyl 4-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]purin-8-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N8O4S MolecularWeight: 488.56322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H28N8O4S/c1-4-33-21(32)28-10-8-27(9-11-28)19-24-16-15(17(30)25-20(31)26(16)3)29(19)12-14(2)13-34-18-22-6-5-7-23-18/h5-7,14H,4,8-13H2,1-3H3,(H,25,30,31)