methyl 7-(4-tert-butylphenyl)-6-(phenylcarbonyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: methyl 7-(4-tert-butylphenyl)-6-(phenylcarbonyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: methyl 6-benzoyl-7-(4-tert-butylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 6-benzoyl-7-(4-tert-butylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-benzoyl-7-(4-tert-butylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 6-benzoyl-7-(4-tert-butylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(N=C3N2NN=N3)C(=O)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(=C(N=C3N2NN=N3)C(=O)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-23(2,3)16-12-10-14(11-13-16)19-17(20(29)15-8-6-5-7-9-15)18(21(30)31-4)24-22-25-26-27-28(19)22/h5-13,19H,1-4H3,(H,24,25,27)