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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CC(C)COCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C18H22N4O3/c1-13(2)10-25-12-22-17(23)15-16(20(3)18(22)24)19-11-21(15)9-14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3