7-(aminomethyl)-8-[(3-aminophenyl)methyl]-1-butyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 7-(aminomethyl)-8-[(3-aminophenyl)methyl]-1-butyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione Openeye Name: 7-(aminomethyl)-8-[(3-aminophenyl)methyl]-1-butyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione CAS Name: 7-(aminomethyl)-8-[(3-aminophenyl)methyl]-1-butyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione IUPAC Name: 7-(aminomethyl)-8-[(3-aminophenyl)methyl]-1-butyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminobenzyl)-7-(aminomethyl)-1-butyl-3-(4-hydroxybenzyl)xanthine Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2CN)CC3=CC(=CC=C3)N)N(C1=O)CC4=CC=C(C=C4)O

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2CN)CC3=CC(=CC=C3)N)N(C1=O)CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H28N6O3/c1-2-3-11-28-23(32)21-22(29(24(28)33)14-16-7-9-19(31)10-8-16)27-20(30(21)15-25)13-17-5-4-6-18(26)12-17/h4-10,12,31H,2-3,11,13-15,25-26H2,1H3