2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C15H15BrN3O2S- MolecularWeight: 381.2675

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C15H16BrN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)/p-1