2-azanyl-4-butylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-butylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-butylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(butylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-butylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(butylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)N

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)N

InChI

InChI=1S/C15H16N4S/c1-2-3-9-20-14-12(10-16)13(18-15(17)19-14)11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3,(H2,17,18,19)