1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C21H28N4O2S/c1-14(2)21-22-15(3)13-19(23-21)24-9-11-25(12-10-24)20(27)8-6-17(26)18-7-5-16(4)28-18/h5,7,13-14H,6,8-12H2,1-4H3