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

Systemtic Name: 1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione Openeye Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-5-(2-thienyl)pentane-1,5-dione CAS Name: 1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-5-thiophen-2-ylpentane-1,5-dione IUPAC Name: 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione Traditional Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-5-(2-thienyl)pentane-1,5-dione 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)CCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCC(=O)C3=CC=CS3

InChI

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