6-butyl-2-methyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyrimidine-4-sulfonic acid

Systemtic Name: 6-butyl-2-methyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyrimidine-4-sulfonic acid Openeye Name: 6-butyl-2-methyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4-sulfonic acid CAS Name: 6-butyl-2-methyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-pyrimidinesulfonic acid IUPAC Name: 6-butyl-2-methyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4-sulfonic acid Traditional Name: 6-butyl-2-methyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]pyrimidine-4-sulfonic acid Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)S(=O)(=O)O)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)S(=O)(=O)O)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

InChI

InChI=1S/C23H24N6O3S/c1-3-4-10-21-20(23(33(30,31)32)25-15(2)24-21)14-16-11-12-18(17-8-6-5-7-9-17)19(13-16)22-26-28-29-27-22/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,30,31,32)(H,26,27,28,29)