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

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(benzylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(benzylamino)-1,3-dimethyl-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)C[C@H](COCC=C)O

InChI

InChI=1S/C20H25N5O4/c1-4-10-29-13-15(26)12-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)21-11-14-8-6-5-7-9-14/h4-9,15,26H,1,10-13H2,2-3H3,(H,21,22)/t15-/m1/s1