(1S,2S)-2-[[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate Formula: C18H22N5O4- MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C18H23N5O4/c1-3-11-9-15(24)21-18(19-11)23-14(8-10(2)22-23)20-16(25)12-6-4-5-7-13(12)17(26)27/h8-9,12-13H,3-7H2,1-2H3,(H,20,25)(H,26,27)(H,19,21,24)/p-1/t12-,13-/m0/s1