8-(4-ethylpiperazin-1-yl)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2C[C@H](COC4=CC=C(C=C4)OC)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H30N6O5/c1-4-26-9-11-27(12-10-26)21-23-19-18(20(30)24-22(31)25(19)2)28(21)13-15(29)14-33-17-7-5-16(32-3)6-8-17/h5-8,15,29H,4,9-14H2,1-3H3,(H,24,30,31)/t15-/m1/s1