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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 7-p-anisyl-3-propyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H18N4O3/c1-3-8-20-14-13(15(21)18-16(20)22)19(10-17-14)9-11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,21,22)