methyl 7-(3-bromanyl-1-benzothiophen-2-yl)-5-methyl-4-(2H-1,2,3,4-tetrazol-5-ylmethyl)-7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 7-(3-bromanyl-1-benzothiophen-2-yl)-5-methyl-4-(2H-1,2,3,4-tetrazol-5-ylmethyl)-7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 7-(3-bromobenzothiophen-2-yl)-5-methyl-4-(2H-tetrazol-5-ylmethyl)-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(3-bromo-1-benzothiophen-2-yl)-5-methyl-4-(2H-tetrazol-5-ylmethyl)-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3-bromo-1-benzothiophen-2-yl)-5-methyl-4-(2H-tetrazol-5-ylmethyl)-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(3-bromobenzothiophen-2-yl)-5-methyl-4-(2H-tetrazol-5-ylmethyl)-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C17H14BrN9O2S MolecularWeight: 488.32116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=NN=N2)N1CC3=NNN=N3)C4=C(C5=CC=CC=C5S4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=NN=N2)N1CC3=NNN=N3)C4=C(C5=CC=CC=C5S4)Br)C(=O)OC

InChI

InChI=1S/C17H14BrN9O2S/c1-8-12(16(28)29-2)14(15-13(18)9-5-3-4-6-10(9)30-15)27-17(21-24-25-27)26(8)7-11-19-22-23-20-11/h3-6,14H,7H2,1-2H3,(H,19,20,22,23)