7-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methyl]-3-ethyl-5-methyl-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methyl]-3-ethyl-5-methyl-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-[[4-(6-chloropyridine-3-carbonyl)phenyl]methyl]-3-ethyl-5-methyl-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methyl]-3-ethyl-5-methyl-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 7-[[4-(6-chloropyridine-3-carbonyl)phenyl]methyl]-3-ethyl-5-methylpyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-[4-(6-chloronicotinoyl)benzyl]-3-ethyl-5-methyl-pyrrolo[2,3-d]pyrimidin-4-one Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(C1=O)C(=CN2CC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl)C

Isomeric SMILES

CCN1C=NC2=C(C1=O)C(=CN2CC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl)C

InChI

InChI=1S/C22H19ClN4O2/c1-3-26-13-25-21-19(22(26)29)14(2)11-27(21)12-15-4-6-16(7-5-15)20(28)17-8-9-18(23)24-10-17/h4-11,13H,3,12H2,1-2H3