2-butan-2-ylsulfanyl-5-[(4-methylpiperazin-1-yl)methyl]-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-5-[(4-methylpiperazin-1-yl)methyl]-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-[(4-methylpiperazin-1-yl)methyl]-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-5-[(4-methyl-1-piperazinyl)methyl]-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-butan-2-ylsulfanyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-[(4-methylpiperazino)methyl]-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C21H30N4OS MolecularWeight: 386.5541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CN3CCN(CC3)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CN3CCN(CC3)C

InChI

InChI=1S/C21H30N4OS/c1-4-16(2)27-21-22-19(14-17-8-6-5-7-9-17)18(20(26)23-21)15-25-12-10-24(3)11-13-25/h5-9,16H,4,10-15H2,1-3H3,(H,22,23,26)