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

Systemtic Name: (1S,2S)-2-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate Formula: C19H24N5O4- MolecularWeight: 386.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-3-6-12-10-16(25)22-19(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)18(27)28/h9-10,13-14H,3-8H2,1-2H3,(H,21,26)(H,27,28)(H,20,22,25)/p-1/t13-,14-/m0/s1