3-[4-methyl-2-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanidyl-pyrimidin-5-yl]propanoate

Systemtic Name: 3-[4-methyl-2-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanidyl-pyrimidin-5-yl]propanoate Openeye Name: 3-[2-[2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl]sulfanyl-4-methyl-6-oxido-pyrimidin-5-yl]propanoate CAS Name: 3-[4-methyl-2-[[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]thio]-6-oxido-5-pyrimidinyl]propanoate IUPAC Name: 3-[4-methyl-2-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]sulfanyl-6-oxidopyrimidin-5-yl]propanoate Traditional Name: 3-[2-[[2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl]thio]-4-methyl-6-oxido-pyrimidin-5-yl]propionate Formula: C21H31N3O4S-2 MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)CSC2=NC(=C(C(=N2)[O-])CCC(=O)[O-])C

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)CSC2=NC(=C(C(=N2)[O-])CCC(=O)[O-])C

InChI

InChI=1S/C21H33N3O4S/c1-5-21(3,4)14-6-8-15(9-7-14)23-17(25)12-29-20-22-13(2)16(19(28)24-20)10-11-18(26)27/h14-15H,5-12H2,1-4H3,(H,23,25)(H,26,27)(H,22,24,28)/p-2