8-[(1S,2S)-2-azanylcyclopentyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-[(1S,2S)-2-azanylcyclopentyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-[(1S,2S)-2-aminocyclopentoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[(1S,2S)-2-aminocyclopentyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-[(1S,2S)-2-aminocyclopentyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[(1S,2S)-2-aminocyclopentoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OC3CCCC3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1O[C@H]3CCC[C@@H]3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N5O4/c1-15(2)12-13-28-20-21(26-23(28)33-19-11-7-10-17(19)25)27(3)24(32)29(22(20)31)14-18(30)16-8-5-4-6-9-16/h4-6,8-9,12,17,19H,7,10-11,13-14,25H2,1-3H3/t17-,19-/m0/s1