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

Systemtic Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-8-piperazino-xanthine Formula: C17H24N6O3 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C17H24N6O3/c1-3-5-8-22-13-14(19-16(22)21-9-6-18-7-10-21)23(11-12-26-4-2)17(25)20-15(13)24/h18H,4,6-12H2,1-2H3,(H,20,24,25)