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

Systemtic Name: 7-(aminomethyl)-1-ethyl-3,8-bis[(4-hydroxyphenyl)methyl]purine-2,6-dione Openeye Name: 7-(aminomethyl)-1-ethyl-3,8-bis[(4-hydroxyphenyl)methyl]purine-2,6-dione CAS Name: 7-(aminomethyl)-1-ethyl-3,8-bis[(4-hydroxyphenyl)methyl]purine-2,6-dione IUPAC Name: 7-(aminomethyl)-1-ethyl-3,8-bis[(4-hydroxyphenyl)methyl]purine-2,6-dione Traditional Name: 7-(aminomethyl)-1-ethyl-3,8-bis(4-hydroxybenzyl)xanthine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-2-25-21(30)19-20(26(22(25)31)12-15-5-9-17(29)10-6-15)24-18(27(19)13-23)11-14-3-7-16(28)8-4-14/h3-10,28-29H,2,11-13,23H2,1H3