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

Systemtic Name: 7-(aminomethyl)-8-[(4-aminophenyl)methyl]-1-ethyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione Openeye Name: 7-(aminomethyl)-8-[(4-aminophenyl)methyl]-1-ethyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione CAS Name: 7-(aminomethyl)-8-[(4-aminophenyl)methyl]-1-ethyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione IUPAC Name: 7-(aminomethyl)-8-[(4-aminophenyl)methyl]-1-ethyl-3-[(4-hydroxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-aminobenzyl)-7-(aminomethyl)-1-ethyl-3-(4-hydroxybenzyl)xanthine Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CN)CC3=CC=C(C=C3)N)N(C1=O)CC4=CC=C(C=C4)O

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CN)CC3=CC=C(C=C3)N)N(C1=O)CC4=CC=C(C=C4)O

InChI

InChI=1S/C22H24N6O3/c1-2-26-21(30)19-20(27(22(26)31)12-15-5-9-17(29)10-6-15)25-18(28(19)13-23)11-14-3-7-16(24)8-4-14/h3-10,29H,2,11-13,23-24H2,1H3