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

Systemtic Name: (1S,6S)-6-[[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H20N5O4- MolecularWeight: 370.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2CC=CCC2C(=O)[O-])C3=NC(=O)C(=C(N3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/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/h4-5,8,12-13H,6-7H2,1-3H3,(H,20,25)(H,26,27)(H,19,21,24)/p-1/t12-,13-/m0/s1