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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-8-(3-methoxypropylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-methoxyphenyl)methyl]-8-(3-methoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-methoxyphenyl)methyl]-8-(3-methoxypropylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-methoxyphenyl)methyl]-8-(3-methoxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-p-anisyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C19H25N5O4/c1-22-15-16(21-18(22)20-10-5-11-27-3)23(2)19(26)24(17(15)25)12-13-6-8-14(28-4)9-7-13/h6-9H,5,10-12H2,1-4H3,(H,20,21)