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

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanylpropyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C17H21N5O3/c1-11(23)10-22-13-14(20(2)17(25)21(3)15(13)24)19-16(22)18-9-12-7-5-4-6-8-12/h4-8,11,23H,9-10H2,1-3H3,(H,18,19)/t11-/m1/s1