N-[4-(4-bromophenyl)sulfanylphenyl]-2-cyclopropyl-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-cyclopropyl-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-cyclopropyl-6-methyl-4-oxo-1H-pyrimidine-5-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-cyclopropyl-6-methyl-4-oxo-1H-pyrimidine-5-carboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-cyclopropyl-6-methyl-4-oxo-1H-pyrimidine-5-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-cyclopropyl-4-keto-6-methyl-1H-pyrimidine-5-carboxamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2CC2)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2CC2)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-12-18(21(27)25-19(23-12)13-2-3-13)20(26)24-15-6-10-17(11-7-15)28-16-8-4-14(22)5-9-16/h4-11,13H,2-3H2,1H3,(H,24,26)(H,23,25,27)