ethyl 4-[[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]amino]-4-keto-butyric acid ethyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CCC(=O)OCC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CCC(=O)OCC)C

InChI

InChI=1S/C20H23N5O5/c1-4-13-12(3)21-20(23-19(13)28)25-16(11-14(24-25)15-7-6-10-30-15)22-17(26)8-9-18(27)29-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,22,26)(H,21,23,28)