3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C15H23N5O3 MolecularWeight: 321.37482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(C)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C[C@H](C)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C15H23N5O3/c1-9-4-6-19(7-5-9)14-16-12-11(20(14)8-10(2)21)13(22)17-15(23)18(12)3/h9-10,21H,4-8H2,1-3H3,(H,17,22,23)/t10-/m0/s1