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

Systemtic Name: 8-(cyclobutylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclobutylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclobutylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclobutylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclobutylamino)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C19H23N5O3/c1-22-16-15(17(25)23(2)19(22)26)24(18(21-16)20-13-5-4-6-13)11-12-7-9-14(27-3)10-8-12/h7-10,13H,4-6,11H2,1-3H3,(H,20,21)