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

Systemtic Name: 7-butyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[(3R)-3-methyl-1-piperidyl]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[(3R)-3-methyl-1-piperidinyl]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[(3R)-3-methylpiperidino]xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3CCCC(C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3CCC[C@H](C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25N5O2/c1-4-5-9-21-12-13(19(3)16(23)18-14(12)22)17-15(21)20-8-6-7-11(2)10-20/h11H,4-10H2,1-3H3,(H,18,22,23)/t11-/m1/s1