7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-o-anisyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC=CC=C3OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC=CC=C3OC

InChI

InChI=1S/C18H23N5O4/c1-21-15-14(16(25)22(2)18(21)26)23(17(20-15)19-9-6-10-24)11-12-7-4-5-8-13(12)27-3/h4-5,7-8,24H,6,9-11H2,1-3H3,(H,19,20)