5-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]valerate Formula: C16H20N5O4- MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4/c1-3-5-11-9-14(23)19-16(17-11)21-12(8-10(2)20-21)18-13(22)6-4-7-15(24)25/h8-9H,3-7H2,1-2H3,(H,18,22)(H,24,25)(H,17,19,23)/p-1