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

Systemtic Name: 7-(aminomethyl)-3-[(4-aminophenyl)methyl]-8-[(4-hydroxyphenyl)methyl]-1-propyl-purine-2,6-dione Openeye Name: 7-(aminomethyl)-3-[(4-aminophenyl)methyl]-8-[(4-hydroxyphenyl)methyl]-1-propyl-purine-2,6-dione CAS Name: 7-(aminomethyl)-3-[(4-aminophenyl)methyl]-8-[(4-hydroxyphenyl)methyl]-1-propylpurine-2,6-dione IUPAC Name: 7-(aminomethyl)-3-[(4-aminophenyl)methyl]-8-[(4-hydroxyphenyl)methyl]-1-propylpurine-2,6-dione Traditional Name: 3-(4-aminobenzyl)-7-(aminomethyl)-8-(4-hydroxybenzyl)-1-propyl-xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CN)CC3=CC=C(C=C3)O)N(C1=O)CC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CN)CC3=CC=C(C=C3)O)N(C1=O)CC4=CC=C(C=C4)N

InChI

InChI=1S/C23H26N6O3/c1-2-11-27-22(31)20-21(28(23(27)32)13-16-3-7-17(25)8-4-16)26-19(29(20)14-24)12-15-5-9-18(30)10-6-15/h3-10,30H,2,11-14,24-25H2,1H3