(E)-4-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]but-2-enoic acid Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H17N5O4/c1-3-4-10-8-13(22)18-15(16-10)20-11(7-9(2)19-20)17-12(21)5-6-14(23)24/h5-8H,3-4H2,1-2H3,(H,17,21)(H,23,24)(H,16,18,22)/b6-5+