methyl 6-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H33N5O2S MolecularWeight: 407.57332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H33N5O2S/c1-15(2)19-22-16(3)14-17(23-19)24-10-12-25(13-11-24)20(28)21-9-7-5-6-8-18(26)27-4/h14-15H,5-13H2,1-4H3,(H,21,28)