1-(5-methylthiophen-2-yl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)heptane-1,4,7-trione

Systemtic Name: 1-(5-methylthiophen-2-yl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)heptane-1,4,7-trione Openeye Name: 1-(5-methyl-2-thienyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)heptane-1,4,7-trione CAS Name: 1-(5-methyl-2-thiophenyl)-7-[4-(2-pyrimidinyl)-1-piperazinyl]heptane-1,4,7-trione IUPAC Name: 1-(5-methylthiophen-2-yl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)heptane-1,4,7-trione Traditional Name: 1-(5-methyl-2-thienyl)-7-[4-(2-pyrimidyl)piperazino]heptane-1,4,7-trione Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H24N4O3S/c1-15-3-7-18(28-15)17(26)6-4-16(25)5-8-19(27)23-11-13-24(14-12-23)20-21-9-2-10-22-20/h2-3,7,9-10H,4-6,8,11-14H2,1H3