3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[3-[4-(2-pyrimidyl)piperazino]propyl]propionamide Formula: C21H31N7OS MolecularWeight: 429.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H31N7OS/c1-16-18(17(2)26-21(25-16)30-3)6-7-19(29)22-10-5-11-27-12-14-28(15-13-27)20-23-8-4-9-24-20/h4,8-9H,5-7,10-15H2,1-3H3,(H,22,29)