4-(5-methylthiophen-2-yl)-4-oxidanylidene-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide

Systemtic Name: 4-(5-methylthiophen-2-yl)-4-oxidanylidene-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-(5-methyl-2-thienyl)-4-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxo-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]butanamide IUPAC Name: 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-keto-4-(5-methyl-2-thienyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]butyramide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O2S/c1-16-4-6-18(28-16)17(26)5-7-19(27)21-10-3-11-24-12-14-25(15-13-24)20-22-8-2-9-23-20/h2,4,6,8-9H,3,5,7,10-15H2,1H3,(H,21,27)