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

Systemtic Name: (1S,2S)-2-[[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate Formula: C17H20N5O4- MolecularWeight: 358.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-9-8-14(23)20-17(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)16(25)26/h7-8,11-12H,3-6H2,1-2H3,(H,19,24)(H,25,26)(H,18,20,23)/p-1/t11-,12-/m0/s1