ethyl 5-methyl-7-phenyl-2-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-7-phenyl-2-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-7-phenyl-2-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-phenyl-2-(3-pyridinyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-7-phenyl-2-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-phenyl-2-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)C4=CN=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C20H19N5O2/c1-3-27-19(26)16-13(2)22-20-23-18(15-10-7-11-21-12-15)24-25(20)17(16)14-8-5-4-6-9-14/h4-12,17H,3H2,1-2H3,(H,22,23,24)