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

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-xanthine Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C22H30N6O5/c1-15-5-3-4-6-17(15)33-14-16(30)13-28-18-19(25(2)22(32)24-20(18)31)23-21(28)27-9-7-26(8-10-27)11-12-29/h3-6,16,29-30H,7-14H2,1-2H3,(H,24,31,32)