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

Systemtic Name: 8-[(1R,2S)-2-azanylcyclohexyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-[(1R,2S)-2-aminocyclohexoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[(1R,2S)-2-aminocyclohexyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-[(1R,2S)-2-aminocyclohexyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[(1R,2S)-2-aminocyclohexoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OC3CCCCC3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-16(2)13-14-29-21-22(27-24(29)34-20-12-8-7-11-18(20)26)28(3)25(33)30(23(21)32)15-19(31)17-9-5-4-6-10-17/h4-6,9-10,13,18,20H,7-8,11-12,14-15,26H2,1-3H3/t18-,20+/m0/s1