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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-3-methyl-1-propylpurine-2,6-dione Traditional Name: 3-methyl-7-p-anisyl-1-propyl-xanthine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C

InChI

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