(2-methoxy-4-methylsulfanyl-phenyl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H28N4O2S/c1-14(2)20-22-15(3)12-19(23-20)24-8-10-25(11-9-24)21(26)17-7-6-16(28-5)13-18(17)27-4/h6-7,12-14H,8-11H2,1-5H3