2-ethyl-7-[(4-hydroxyphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-ethyl-7-[(4-hydroxyphenyl)methyl]-3H-purin-6-one Openeye Name: 2-ethyl-7-[(4-hydroxyphenyl)methyl]-3H-purin-6-one CAS Name: 2-ethyl-7-[(4-hydroxyphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-ethyl-7-[(4-hydroxyphenyl)methyl]-3H-purin-6-one Traditional Name: 2-ethyl-7-(4-hydroxybenzyl)-3H-purin-6-one Formula: C28H28N8O4 MolecularWeight: 540.57312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)O.CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)O

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)O.CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)O

InChI

InChI=1S/2C14H14N4O2/c2*1-2-11-16-13-12(14(20)17-11)18(8-15-13)7-9-3-5-10(19)6-4-9/h2*3-6,8,19H,2,7H2,1H3,(H,16,17,20)