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

Systemtic Name: 1-(ethoxymethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione Openeye Name: 7-benzyl-1-(ethoxymethyl)-3-propyl-purine-2,6-dione CAS Name: 1-(ethoxymethyl)-7-(phenylmethyl)-3-propylpurine-2,6-dione IUPAC Name: 7-benzyl-1-(ethoxymethyl)-3-propylpurine-2,6-dione Traditional Name: 7-benzyl-1-(ethoxymethyl)-3-propyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)COCC)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)COCC)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-3-10-21-16-15(17(23)22(18(21)24)13-25-4-2)20(12-19-16)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3