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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(NC1=O)N=CN2CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(NC1=O)N=CN2CC3=CC=C(C=C3)OC

InChI

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