ethyl (7S)-7-(4-ethoxyphenyl)-5-methyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (7S)-7-(4-ethoxyphenyl)-5-methyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl (7S)-7-(4-ethoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7S)-7-(4-ethoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (7S)-7-(4-ethoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7S)-5-methyl-7-p-phenetyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N=C3N2NN=N3)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(N=C3N2NN=N3)C)C(=O)OCC

InChI

InChI=1S/C16H19N5O3/c1-4-23-12-8-6-11(7-9-12)14-13(15(22)24-5-2)10(3)17-16-18-19-20-21(14)16/h6-9,14H,4-5H2,1-3H3,(H,17,18,20)/t14-/m0/s1