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

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-methyl-butyramide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CC(C)C)C

InChI

InChI=1S/C18H21N5O2S/c1-10(2)8-16(24)20-15-9-13(14-6-5-7-26-14)22-23(15)18-19-12(4)11(3)17(25)21-18/h5-7,9-10H,8H2,1-4H3,(H,20,24)(H,19,21,25)