1,3-dimethyl-8-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-1,3-dimethyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC(CC3=CC=CC=C3)CO)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@H](CC3=CC=CC=C3)CO)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-26-20-19(21(30)27(2)23(26)31)28(14-17-11-7-4-8-12-17)22(25-20)24-18(15-29)13-16-9-5-3-6-10-16/h3-12,18,29H,13-15H2,1-2H3,(H,24,25)/t18-/m1/s1