methyl 6-(4-methylphenyl)carbonyl-7-pyridin-3-yl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: methyl 6-(4-methylphenyl)carbonyl-7-pyridin-3-yl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: methyl 6-(4-methylbenzoyl)-7-(3-pyridyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 6-[(4-methylphenyl)-oxomethyl]-7-(3-pyridinyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-methylbenzoyl)-7-pyridin-3-yl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 6-p-toluoyl-7-(3-pyridyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester Formula: C19H16N6O3 MolecularWeight: 376.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N=C3N=NNN3C2C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N=C3N=NNN3C2C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C19H16N6O3/c1-11-5-7-12(8-6-11)17(26)14-15(18(27)28-2)21-19-22-23-24-25(19)16(14)13-4-3-9-20-10-13/h3-10,16H,1-2H3,(H,21,22,24)