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

Systemtic Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 1-butyl-3-methyl-7-p-anisyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C

InChI

InChI=1S/C18H22N4O3/c1-4-5-10-22-17(23)15-16(20(2)18(22)24)19-12-21(15)11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3