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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=CC=C3)OC

InChI

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