3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-piperidino-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C19H23N5O3/c1-22-16-15(17(26)21-19(22)27)24(12-14(25)13-8-4-2-5-9-13)18(20-16)23-10-6-3-7-11-23/h2,4-5,8-9,14,25H,3,6-7,10-12H2,1H3,(H,21,26,27)/t14-/m1/s1