2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-N-[[3-(2-pyrimidinyloxy)phenyl]methyl]ethanamine IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]ethyl-[3-(2-pyrimidyloxy)benzyl]amine Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC(=CC=C3)OC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC(=CC=C3)OC4=NC=CC=N4

InChI

InChI=1S/C20H19N7OS/c1-2-7-17(8-3-1)27-20(24-25-26-27)29-13-12-21-15-16-6-4-9-18(14-16)28-19-22-10-5-11-23-19/h1-11,14,21H,12-13,15H2