8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C23H30N6O5 MolecularWeight: 470.5215

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)C[C@H](COCC=C)O

InChI

InChI=1S/C23H30N6O5/c1-4-13-34-15-17(30)14-29-19-20(26(2)23(32)25-21(19)31)24-22(29)28-11-9-27(10-12-28)16-5-7-18(33-3)8-6-16/h4-8,17,30H,1,9-15H2,2-3H3,(H,25,31,32)/t17-/m1/s1