7-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(6-chloropyridine-3-carbonyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(6-chloropyridine-3-carbonyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(6-chloronicotinoyl)benzyl]-1,3-dimethyl-xanthine Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5O3/c1-24-18-16(19(28)25(2)20(24)29)26(11-23-18)10-12-3-5-13(6-4-12)17(27)14-7-8-15(21)22-9-14/h3-9,11H,10H2,1-2H3