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

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C18H23N5O3/c1-12(24)10-23-14-15(21(3)18(26)22(4)16(14)25)19-17(23)20(2)11-13-8-6-5-7-9-13/h5-9,12,24H,10-11H2,1-4H3/t12-/m1/s1