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

Systemtic Name: 1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[(3S)-3-methyl-1-piperidyl]methyl]-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(3S)-3-methyl-1-piperidinyl]methyl]-7-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-phenacylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[(3S)-3-methylpiperidino]methyl]-7-phenacyl-xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H27N5O3/c1-15-8-7-11-26(12-15)14-18-23-20-19(21(29)25(3)22(30)24(20)2)27(18)13-17(28)16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3/t15-/m0/s1