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

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

CC1=NN(C(=C1)NC(=O)C2CCCCC2C(=O)[O-])C3=NC(=O)C(=C(N3)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C3=NC(=O)C(=C(N3)C)C

InChI

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