5-[3-(4-cyclopropylcarbonylpiperazin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[3-(4-cyclopropylcarbonylpiperazin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxo-propyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[3-[4-(cyclopropanecarbonyl)piperazino]-3-keto-propyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H28N4O3S/c1-16-19(21(29)25-23(24-16)31-15-17-5-3-2-4-6-17)9-10-20(28)26-11-13-27(14-12-26)22(30)18-7-8-18/h2-6,18H,7-15H2,1H3,(H,24,25,29)