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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H25N5O2/c1-10(2)8-21-12-13(19(4)16(23)18-14(12)22)17-15(21)20-7-5-6-11(3)9-20/h10-11H,5-9H2,1-4H3,(H,18,22,23)/t11-/m0/s1