(5S,7R)-5-(4-ethylphenyl)-7-(2-fluorophenyl)-1,5,6,7-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

Systemtic Name: (5S,7R)-5-(4-ethylphenyl)-7-(2-fluorophenyl)-1,5,6,7-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine Openeye Name: (5S,7R)-5-(4-ethylphenyl)-7-(2-fluorophenyl)-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine CAS Name: (5S,7R)-5-(4-ethylphenyl)-7-(2-fluorophenyl)-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine IUPAC Name: (5S,7R)-5-(4-ethylphenyl)-7-(2-fluorophenyl)-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine Traditional Name: (5S,7R)-5-(4-ethylphenyl)-7-(2-fluorophenyl)-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine Formula: C18H18FN5 MolecularWeight: 323.367423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(N3C(=N2)N=NN3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C[C@@H](N3C(=N2)N=NN3)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN5/c1-2-12-7-9-13(10-8-12)16-11-17(14-5-3-4-6-15(14)19)24-18(20-16)21-22-23-24/h3-10,16-17H,2,11H2,1H3,(H,20,21,23)/t16-,17+/m0/s1