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

Systemtic Name: octyl 7-(4-dimethylaminophenyl)-5-methyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: octyl 7-(4-dimethylaminophenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(4-dimethylaminophenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid octyl ester IUPAC Name: octyl 7-(4-dimethylaminophenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(4-dimethylaminophenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid octyl ester Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C22H32N6O2/c1-5-6-7-8-9-10-15-30-21(29)19-16(2)23-22-24-25-26-28(22)20(19)17-11-13-18(14-12-17)27(3)4/h11-14,20H,5-10,15H2,1-4H3,(H,23,24,26)