(phenylmethyl) 5-methyl-7-(4-methylsulfonylphenyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-7-(4-methylsulfonylphenyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-7-(4-methylsulfonylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(4-methylsulfonylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-7-(4-methylsulfonylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(4-mesylphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=NN2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N2C(=N1)N=NN2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O4S/c1-13-17(19(26)29-12-14-6-4-3-5-7-14)18(25-20(21-13)22-23-24-25)15-8-10-16(11-9-15)30(2,27)28/h3-11,18H,12H2,1-2H3,(H,21,22,24)