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

Systemtic Name: ethyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-(3-pyrimidin-2-ylsulfanylpropyl)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-2,6-dioxo-7-(3-pyrimidin-2-ylsulfanylpropyl)purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-2,6-dioxo-7-[3-(2-pyrimidinylthio)propyl]-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-2,6-dioxo-7-(3-pyrimidin-2-ylsulfanylpropyl)purin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-[3-(2-pyrimidylthio)propyl]purin-8-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N8O4S MolecularWeight: 474.53664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H26N8O4S/c1-3-32-20(31)27-11-9-26(10-12-27)18-23-15-14(16(29)24-19(30)25(15)2)28(18)8-5-13-33-17-21-6-4-7-22-17/h4,6-7H,3,5,8-13H2,1-2H3,(H,24,29,30)