8-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,3-dimethyl-xanthine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H18ClN5O3/c1-8-6-18-10(9(2)12(8)25-5)7-22-11-13(19-15(22)17)20(3)16(24)21(4)14(11)23/h6H,7H2,1-5H3