8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-xanthine Formula: C19H25N5O6 MolecularWeight: 419.4317

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C19H25N5O6/c1-22-16-15(17(28)21-19(22)29)24(18(20-16)23(7-9-25)8-10-26)11-13(27)12-30-14-5-3-2-4-6-14/h2-6,13,25-27H,7-12H2,1H3,(H,21,28,29)/t13-/m0/s1