3-methyl-7-(3-methylbutyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-piperazino-xanthine Formula: C15H24N6O2 MolecularWeight: 320.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N6O2/c1-10(2)4-7-21-11-12(19(3)15(23)18-13(11)22)17-14(21)20-8-5-16-6-9-20/h10,16H,4-9H2,1-3H3,(H,18,22,23)