ethyl N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]carbamate

Systemtic Name: ethyl N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]carbamate Openeye Name: ethyl N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]carbamate CAS Name: N-[2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-3-pyrazolyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]carbamate Traditional Name: N-[2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]carbamic acid ethyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=NN1C2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)NC1=CC(=NN1C2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H21N5O3S/c1-3-30-22(29)24-19-13-17(18-10-7-11-31-18)26-27(19)21-23-14(2)16(20(28)25-21)12-15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3,(H,24,29)(H,23,25,28)