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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

InChI

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