7-(ethoxymethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-(ethoxymethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(ethoxymethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-(ethoxymethyl)-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-7-(ethoxymethyl)-3-methyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3/c1-3-23-11-19-10-17-14-13(19)15(21)20(16(22)18(14)2)9-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3