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

Systemtic Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 1-butyl-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 1-butyl-7-p-anisyl-3-propyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-4-6-12-24-19(25)17-18(23(11-5-2)20(24)26)21-14-22(17)13-15-7-9-16(27-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3