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

Systemtic Name: 4-azanyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(m-tolylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3-methylphenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(3-methylbenzyl)thio]pyrimidine-5-carbonitrile Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4S/c1-9-3-2-4-10(5-9)8-18-13-16-7-11(6-14)12(15)17-13/h2-5,7H,8H2,1H3,(H2,15,16,17)