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

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4/c1-3-25-9-11-26(12-10-25)20-22-18-17(19(29)23-21(30)24(18)2)27(20)13-15(28)14-31-16-7-5-4-6-8-16/h4-8,15,28H,3,9-14H2,1-2H3,(H,23,29,30)/t15-/m1/s1