4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: 4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: 4-[2-(methylthio)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: 4-[2-(methylthio)-6-(4-phenylpiperazino)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C20H27N7OS MolecularWeight: 413.53968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)N2CCN(CC2)C(=O)N)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)N2CCN(CC2)C(=O)N)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N7OS/c1-29-20-22-17(15-18(23-20)26-11-13-27(14-12-26)19(21)28)25-9-7-24(8-10-25)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H2,21,28)