methyl 3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[[2-(1-piperidyl)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[2-(1-piperidinyl)-4-quinazolinyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(2-piperidinoquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C17H19N7O2/c1-26-15(25)14-20-16(23-22-14)19-13-11-7-3-4-8-12(11)18-17(21-13)24-9-5-2-6-10-24/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,18,19,20,21,22,23)