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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-4-13(24)11-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)19-10-12-8-6-5-7-9-12/h5-9,13,24H,4,10-11H2,1-3H3,(H,19,20)/t13-/m1/s1