4-[ethyl-(phenylmethyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[ethyl-(phenylmethyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[benzyl(ethyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[ethyl-(phenylmethyl)amino]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[benzyl(ethyl)amino]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[benzyl(ethyl)amino]-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H20N4S/c1-3-25(15-16-10-6-4-7-11-16)20-18(14-22)19(23-21(24-20)26-2)17-12-8-5-9-13-17/h4-13H,3,15H2,1-2H3