ethyl 4-(butylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(butylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(butylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(butylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(butylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C(=O)OCC)N2C(=CC(=N2)C)C

Isomeric SMILES

CCCCNC1=NC(=NC=C1C(=O)OCC)N2C(=CC(=N2)C)C

InChI

InChI=1S/C16H23N5O2/c1-5-7-8-17-14-13(15(22)23-6-2)10-18-16(19-14)21-12(4)9-11(3)20-21/h9-10H,5-8H2,1-4H3,(H,17,18,19)