8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(2S)-2-ethyl-1-piperidyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(2S)-2-ethylpiperidino]methyl]-1,3-dimethyl-xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O2/c1-4-17-12-8-9-13-26(17)15-18-23-20-19(21(28)25(3)22(29)24(20)2)27(18)14-16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3/t17-/m0/s1