2-[(3S)-heptan-3-yl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-[(3S)-heptan-3-yl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: 2-[(1S)-1-ethylpentyl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[(3S)-heptan-3-yl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxylate IUPAC Name: 2-[(3S)-heptan-3-yl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-[(1S)-1-ethylpentyl]-4-keto-6-methyl-1H-pyrimidine-5-carboxylate Formula: C13H19N2O3- MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NC(=O)C(=C(N1)C)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C1=NC(=O)C(=C(N1)C)C(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-4-6-7-9(5-2)11-14-8(3)10(13(17)18)12(16)15-11/h9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)/p-1/t9-/m0/s1