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

Systemtic Name: methyl 4-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H29N5O2S MolecularWeight: 379.52016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2S/c1-13(2)17-20-14(3)12-15(21-17)22-8-10-23(11-9-22)18(26)19-7-5-6-16(24)25-4/h12-13H,5-11H2,1-4H3,(H,19,26)