4-azanyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-(3,5-dimethylphenoxy)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-(3,5-dimethylphenoxy)ethylthio]pyrimidine-5-carbonitrile Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C15H16N4OS/c1-10-5-11(2)7-13(6-10)20-3-4-21-15-18-9-12(8-16)14(17)19-15/h5-7,9H,3-4H2,1-2H3,(H2,17,18,19)