4-ethyl-2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrimidine-5-carboxamide

Systemtic Name: 4-ethyl-2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrimidine-5-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-ethyl-2-(methylthio)-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-4-ethyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)SC

InChI

InChI=1S/C21H29N5OS/c1-3-19-18(15-23-21(24-19)28-2)20(27)22-9-10-25-11-13-26(14-12-25)16-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3,(H,22,27)