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

Systemtic Name: methyl 7-(2-fluorophenyl)-6-(4-methylphenyl)carbonyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: methyl 7-(2-fluorophenyl)-6-(4-methylbenzoyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 7-(2-fluorophenyl)-6-[(4-methylphenyl)-oxomethyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-(2-fluorophenyl)-6-(4-methylbenzoyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 7-(2-fluorophenyl)-6-p-toluoyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester Formula: C20H16FN5O3 MolecularWeight: 393.371143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N=C3N=NNN3C2C4=CC=CC=C4F)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N=C3N=NNN3C2C4=CC=CC=C4F)C(=O)OC

InChI

InChI=1S/C20H16FN5O3/c1-11-7-9-12(10-8-11)18(27)15-16(19(28)29-2)22-20-23-24-25-26(20)17(15)13-5-3-4-6-14(13)21/h3-10,17H,1-2H3,(H,22,23,25)