8-[[(1R,2S)-2-azanyl-2,3-dihydro-1H-inden-1-yl]oxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-[[(1R,2S)-2-azanyl-2,3-dihydro-1H-inden-1-yl]oxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-[(1R,2S)-2-aminoindan-1-yl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[[(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]oxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-[[(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]oxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[(1R,2S)-2-aminoindan-1-yl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OC3C(CC4=CC=CC=C34)N)N(C(=O)N(C2=O)CC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1O[C@H]3[C@H](CC4=CC=CC=C34)N)N(C(=O)N(C2=O)CC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H29N5O4/c1-17(2)13-14-32-23-25(30-27(32)37-24-20-12-8-7-11-19(20)15-21(24)29)31(3)28(36)33(26(23)35)16-22(34)18-9-5-4-6-10-18/h4-13,21,24H,14-16,29H2,1-3H3/t21-,24+/m0/s1