4-azanyl-2-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(4-propylphenyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(4-propylphenyl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H16N4OS/c1-2-3-11-4-6-12(7-5-11)14(21)10-22-16-19-9-13(8-17)15(18)20-16/h4-7,9H,2-3,10H2,1H3,(H2,18,19,20)