2-ethyl-7-[(3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-ethyl-7-[(3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one Openeye Name: 2-ethyl-7-[(3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one CAS Name: 2-ethyl-7-[(3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-ethyl-7-[(3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one Traditional Name: 2-ethyl-7-(3,4,5-trimethoxybenzyl)-3H-purin-6-one Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-5-13-19-16-14(17(22)20-13)21(9-18-16)8-10-6-11(23-2)15(25-4)12(7-10)24-3/h6-7,9H,5,8H2,1-4H3,(H,19,20,22)