ethyl 2-[(3-methylphenyl)methylamino]-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(3-methylphenyl)methylamino]-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(m-tolylmethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-[(3-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-2-[(3-methylbenzyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N=C(NN2C1=O)NCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C2N=C(NN2C1=O)NCC3=CC=CC(=C3)C

InChI

InChI=1S/C16H17N5O3/c1-3-24-14(23)12-9-18-16-19-15(20-21(16)13(12)22)17-8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,20)