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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N5O4/c1-23-16-15(17(25)22-19(23)26)24(18(21-16)20-10-4-12-27-2)11-9-13-5-7-14(28-3)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,20,21)(H,22,25,26)