7-but-2-ynyl-3-(2-ethoxyethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-methyl-8-piperazino-xanthine Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C18H26N6O3/c1-4-6-9-23-14-15(20-17(23)22-10-7-19-8-11-22)24(12-13-27-5-2)18(26)21(3)16(14)25/h19H,5,7-13H2,1-3H3