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

Systemtic Name: 8-chloranyl-1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1-[(4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-1-[(4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-chloro-3,7-dimethyl-1-p-anisyl-xanthine Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C15H15ClN4O3/c1-18-11-12(17-14(18)16)19(2)15(22)20(13(11)21)8-9-4-6-10(23-3)7-5-9/h4-7H,8H2,1-3H3