6-methyl-5-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-3-keto-propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC3=C(NC(=NC3=O)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC3=C(NC(=NC3=O)SC)C

InChI

InChI=1S/C21H30N6O2S/c1-13(2)19-22-14(3)12-17(24-19)26-8-10-27(11-9-26)18(28)7-6-16-15(4)23-21(30-5)25-20(16)29/h12-13H,6-11H2,1-5H3,(H,23,25,29)