2-methylsulfanyl-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-phenyl-6-(propylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CCCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

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