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

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(C4=CC=CC=C4)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C[C@H](C4=CC=CC=C4)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H25N5O3/c1-13-8-10-24(11-9-13)19-21-17-16(18(27)22-20(28)23(17)2)25(19)12-15(26)14-6-4-3-5-7-14/h3-7,13,15,26H,8-12H2,1-2H3,(H,22,27,28)/t15-/m1/s1