4-[bis(2-hydroxyethyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[bis(2-hydroxyethyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[bis(2-hydroxyethyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[bis(2-hydroxyethyl)amino]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[bis(2-hydroxyethyl)amino]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[bis(2-hydroxyethyl)amino]-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N(CCO)CCO)C#N)C2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=C(C(=N1)N(CCO)CCO)C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H18N4O2S/c1-23-16-18-14(12-5-3-2-4-6-12)13(11-17)15(19-16)20(7-9-21)8-10-22/h2-6,21-22H,7-10H2,1H3