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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-piperidino-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25N5O2/c1-11(2)7-10-21-12-13(19(3)16(23)18-14(12)22)17-15(21)20-8-5-4-6-9-20/h11H,4-10H2,1-3H3,(H,18,22,23)