N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[5-(2-furyl)-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-phenyl-butyramide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5O3/c1-15-16(2)24-23(26-22(15)30)28-20(14-18(27-28)19-11-7-13-31-19)25-21(29)12-6-10-17-8-4-3-5-9-17/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,25,29)(H,24,26,30)