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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 8-(isobutylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 8-(isobutylamino)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H25N5O3/c1-12(2)10-20-18-21-16-15(17(25)23(4)19(26)22(16)3)24(18)11-13-6-8-14(27-5)9-7-13/h6-9,12H,10-11H2,1-5H3,(H,20,21)