1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-1-[(4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-1-[(4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-1-p-anisyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C18H23N5O4/c1-21-14-15(20-17(21)19-9-4-10-24)22(2)18(26)23(16(14)25)11-12-5-7-13(27-3)8-6-12/h5-8,24H,4,9-11H2,1-3H3,(H,19,20)