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

Systemtic Name: 8-(butylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-m-anisyl-1,3-dimethyl-xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=CC(=CC=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=CC(=CC=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H25N5O3/c1-5-6-10-20-18-21-16-15(17(25)23(3)19(26)22(16)2)24(18)12-13-8-7-9-14(11-13)27-4/h7-9,11H,5-6,10,12H2,1-4H3,(H,20,21)