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

Systemtic Name: 8-[[(1S,2S)-2-azanylcyclohexyl]methoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-[[(1S,2S)-2-aminocyclohexyl]methoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[[(1S,2S)-2-aminocyclohexyl]methoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-[[(1S,2S)-2-aminocyclohexyl]methoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[[(1S,2S)-2-aminocyclohexyl]methoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC3CCCCC3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OC[C@H]3CCCC[C@@H]3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H33N5O4/c1-17(2)13-14-30-22-23(28-25(30)35-16-19-11-7-8-12-20(19)27)29(3)26(34)31(24(22)33)15-21(32)18-9-5-4-6-10-18/h4-6,9-10,13,19-20H,7-8,11-12,14-16,27H2,1-3H3/t19-,20+/m1/s1