4-phenylazanyl-2-(phenylmethylsulfanyl)-6-pyridin-3-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-phenylazanyl-2-(phenylmethylsulfanyl)-6-pyridin-3-yl-pyrimidine-5-carbonitrile Openeye Name: 4-anilino-2-benzylsulfanyl-6-(3-pyridyl)pyrimidine-5-carbonitrile CAS Name: 4-anilino-2-(phenylmethylthio)-6-(3-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-anilino-2-benzylsulfanyl-6-pyridin-3-ylpyrimidine-5-carbonitrile Traditional Name: 4-anilino-2-(benzylthio)-6-(3-pyridyl)pyrimidine-5-carbonitrile Formula: C23H17N5S MolecularWeight: 395.47958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC3=CC=CC=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC3=CC=CC=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C23H17N5S/c24-14-20-21(18-10-7-13-25-15-18)27-23(29-16-17-8-3-1-4-9-17)28-22(20)26-19-11-5-2-6-12-19/h1-13,15H,16H2,(H,26,27,28)