7-[(2R)-2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(2R)-2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)C[C@H](CO)O

InChI

InChI=1S/C18H23N5O4/c1-20(9-12-7-5-4-6-8-12)17-19-15-14(23(17)10-13(25)11-24)16(26)22(3)18(27)21(15)2/h4-8,13,24-25H,9-11H2,1-3H3/t13-/m1/s1