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

Systemtic Name: 4-methylsulfanyl-2-phenyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-2-phenyl-6-[4-(2-pyridylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-2-phenyl-6-[4-(2-pyridinylmethyl)-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-methylsulfanyl-2-phenyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-2-phenyl-6-[4-(2-pyridylmethyl)piperazino]pyrimidine-5-carbonitrile Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N2CCN(CC2)CC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N2CCN(CC2)CC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6S/c1-29-22-19(15-23)21(25-20(26-22)17-7-3-2-4-8-17)28-13-11-27(12-14-28)16-18-9-5-6-10-24-18/h2-10H,11-14,16H2,1H3