4-azanyl-2-[(3,5-dimethylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(3,5-dimethylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3,5-dimethylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3,5-dimethylphenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3,5-dimethylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(3,5-dimethylbenzyl)thio]pyrimidine-5-carbonitrile Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C14H14N4S/c1-9-3-10(2)5-11(4-9)8-19-14-17-7-12(6-15)13(16)18-14/h3-5,7H,8H2,1-2H3,(H2,16,17,18)