ethyl 6-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N5O3/c1-5-29-20(27)17-11-22-21(28)23-19(17)13-25(4)12-18-14(2)24-26(15(18)3)16-9-7-6-8-10-16/h6-10H,5,11-13H2,1-4H3,(H2,22,23,28)