8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[(2R)-2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-7-[(2R)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[(2R)-2-hydroxy-3-(2-naphthoxy)propyl]-3-methyl-xanthine Formula: C25H31N6O5+ MolecularWeight: 495.55084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CCO)CC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CCO)C[C@H](COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C25H30N6O5/c1-28-22-21(23(34)27-25(28)35)31(24(26-22)30-10-8-29(9-11-30)12-13-32)15-19(33)16-36-20-7-6-17-4-2-3-5-18(17)14-20/h2-7,14,19,32-33H,8-13,15-16H2,1H3,(H,27,34,35)/p+1/t19-/m1/s1