8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-[(2-fluoro-4,5-dimethoxy-phenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1-(2-fluoro-4,5-dimethoxy-benzyl)-3-methyl-xanthine Formula: C24H29FN6O4 MolecularWeight: 484.523263

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=C(C=C4F)OC)OC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=C(C=C4F)OC)OC)C

InChI

InChI=1S/C24H29FN6O4/c1-5-6-10-30-20-21(27-23(30)29-9-7-8-16(26)14-29)28(2)24(33)31(22(20)32)13-15-11-18(34-3)19(35-4)12-17(15)25/h11-12,16H,7-10,13-14,26H2,1-4H3