1-[4-(phenylmethyl)piperazin-1-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4OS/c1-15-16(2)22-21(23-17(15)3)27-18(4)20(26)25-12-10-24(11-13-25)14-19-8-6-5-7-9-19/h5-9,18H,10-14H2,1-4H3