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

Systemtic Name: 8-(4-ethylpiperazin-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-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(COCC=C)O)C(=O)NC(=O)N3C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O4/c1-4-10-28-12-13(25)11-24-14-15(21(3)18(27)20-16(14)26)19-17(24)23-8-6-22(5-2)7-9-23/h4,13,25H,1,5-12H2,2-3H3,(H,20,26,27)/t13-/m1/s1