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

Systemtic Name: 1-butyl-3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 1-butyl-3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 1-butyl-3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 1-butyl-3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 1-butyl-3,7-bis(p-anisyl)xanthine Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N4O4/c1-4-5-14-28-24(30)22-23(26-17-27(22)15-18-6-10-20(32-2)11-7-18)29(25(28)31)16-19-8-12-21(33-3)13-9-19/h6-13,17H,4-5,14-16H2,1-3H3