4-azanyl-2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[4-(4-bromophenyl)-4-oxobutyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-(4-bromophenyl)-4-keto-butyl]thio]pyrimidine-5-carbonitrile Formula: C15H13BrN4OS MolecularWeight: 377.25892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCSC2=NC=C(C(=N2)N)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCSC2=NC=C(C(=N2)N)C#N)Br

InChI

InChI=1S/C15H13BrN4OS/c16-12-5-3-10(4-6-12)13(21)2-1-7-22-15-19-9-11(8-17)14(18)20-15/h3-6,9H,1-2,7H2,(H2,18,19,20)