butyl (7S)-5-methyl-7-[4-[(4-methylphenyl)methoxy]phenyl]-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: butyl (7S)-5-methyl-7-[4-[(4-methylphenyl)methoxy]phenyl]-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: butyl (7S)-5-methyl-7-[4-(p-tolylmethoxy)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7S)-5-methyl-7-[4-[(4-methylphenyl)methoxy]phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester IUPAC Name: butyl (7S)-5-methyl-7-[4-[(4-methylphenyl)methoxy]phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7S)-5-methyl-7-[4-(4-methylbenzyl)oxyphenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=C(C=C3)OCC4=CC=C(C=C4)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2N=NNN2[C@H]1C3=CC=C(C=C3)OCC4=CC=C(C=C4)C)C

InChI

InChI=1S/C24H27N5O3/c1-4-5-14-31-23(30)21-17(3)25-24-26-27-28-29(24)22(21)19-10-12-20(13-11-19)32-15-18-8-6-16(2)7-9-18/h6-13,22H,4-5,14-15H2,1-3H3,(H,25,26,28)/t22-/m0/s1