7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[(4-ethyl-1-piperazinyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-[(4-ethylpiperazino)methyl]-3-methyl-xanthine Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)CC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)CC

InChI

InChI=1S/C17H28N6O2/c1-4-6-7-23-13(12-22-10-8-21(5-2)9-11-22)18-15-14(23)16(24)19-17(25)20(15)3/h4-12H2,1-3H3,(H,19,24,25)