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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N8O4S/c1-4-32-20(31)27-10-8-26(9-11-27)18-23-15-14(16(29)25(3)19(30)24(15)2)28(18)12-13-33-17-21-6-5-7-22-17/h5-7H,4,8-13H2,1-3H3