4-[3,5-bis(chloranyl)phenyl]-3-butanoyl-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carbonitrile

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-3-butanoyl-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carbonitrile Openeye Name: 3-butanoyl-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carbonitrile CAS Name: 4-(3,5-dichlorophenyl)-6-methyl-2-oxo-3-(1-oxobutyl)-1,4-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-butanoyl-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carbonitrile Traditional Name: 3-butyryl-4-(3,5-dichlorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carbonitrile Formula: C16H15Cl2N3O2 MolecularWeight: 352.2152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCCC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H15Cl2N3O2/c1-3-4-14(22)21-15(10-5-11(17)7-12(18)6-10)13(8-19)9(2)20-16(21)23/h5-7,15H,3-4H2,1-2H3,(H,20,23)