4-azanyl-2-[(2-bromophenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-bromophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(2-bromophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(2-bromophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2-bromophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-bromobenzyl)thio]pyrimidine-5-carbonitrile Formula: C12H9BrN4S MolecularWeight: 321.19566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)N)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)N)C#N)Br

InChI

InChI=1S/C12H9BrN4S/c13-10-4-2-1-3-8(10)7-18-12-16-6-9(5-14)11(15)17-12/h1-4,6H,7H2,(H2,15,16,17)