4-[2-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[2-[(4-methoxyphenyl)methyl]-1-piperazinyl]-6-(methylthio)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-6-(2-p-anisylpiperazino)-2-phenyl-pyrimidine-5-carbonitrile Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CNCCN2C3=C(C(=NC(=N3)C4=CC=CC=C4)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CC2CNCCN2C3=C(C(=NC(=N3)C4=CC=CC=C4)SC)C#N

InChI

InChI=1S/C24H25N5OS/c1-30-20-10-8-17(9-11-20)14-19-16-26-12-13-29(19)23-21(15-25)24(31-2)28-22(27-23)18-6-4-3-5-7-18/h3-11,19,26H,12-14,16H2,1-2H3