1-ethyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 1-ethyl-7-p-anisyl-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)CC)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-4-10-22-16-15(17(23)21(5-2)18(22)24)20(12-19-16)11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3