4-ethyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 4-ethyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: 4-ethyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-ethyl-N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-ethyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-ethyl-N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-2-(methylthio)pyrimidine-5-carboxamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C22H31N5O2S/c1-4-20-19(16-24-22(25-20)30-3)21(28)23-10-5-11-26-12-14-27(15-13-26)17-6-8-18(29-2)9-7-17/h6-9,16H,4-5,10-15H2,1-3H3,(H,23,28)