3,7-dimethyl-1-(phenylmethyl)-8-propoxy-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-propoxy-purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-propoxy-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-propoxypurine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-propoxypurine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-propoxy-xanthine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3/c1-4-10-24-16-18-14-13(19(16)2)15(22)21(17(23)20(14)3)11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3