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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-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]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C24H32N6O5 MolecularWeight: 484.54808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)C[C@H](COCC=C)O

InChI

InChI=1S/C24H32N6O5/c1-5-14-35-16-18(31)15-30-20-21(26(2)24(33)27(3)22(20)32)25-23(30)29-12-10-28(11-13-29)17-6-8-19(34-4)9-7-17/h5-9,18,31H,1,10-16H2,2-4H3/t18-/m1/s1