8-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(6-chloropyridine-3-carbonyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(6-chloropyridine-3-carbonyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(6-chloronicotinoyl)benzyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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