4-azanyl-2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-bromo-4,5-dimethoxy-benzyl)thio]pyrimidine-5-carbonitrile Formula: C14H13BrN4O2S MolecularWeight: 381.24762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC=C(C(=N2)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC=C(C(=N2)N)C#N)Br)OC

InChI

InChI=1S/C14H13BrN4O2S/c1-20-11-3-8(10(15)4-12(11)21-2)7-22-14-18-6-9(5-16)13(17)19-14/h3-4,6H,7H2,1-2H3,(H2,17,18,19)