propyl 7-(3-bromanyl-4,5-dimethoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: propyl 7-(3-bromanyl-4,5-dimethoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: propyl 7-(3-bromo-4,5-dimethoxy-phenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(3-bromo-4,5-dimethoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid propyl ester IUPAC Name: propyl 7-(3-bromo-4,5-dimethoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(3-bromo-4,5-dimethoxy-phenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid propyl ester Formula: C17H20BrN5O4 MolecularWeight: 438.2758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC(=C(C(=C3)Br)OC)OC)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC(=C(C(=C3)Br)OC)OC)C

InChI

InChI=1S/C17H20BrN5O4/c1-5-6-27-16(24)13-9(2)19-17-20-21-22-23(17)14(13)10-7-11(18)15(26-4)12(8-10)25-3/h7-8,14H,5-6H2,1-4H3,(H,19,20,22)