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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-1-amine Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-1-amine CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]-N-[[3-(2-pyrimidinyloxy)phenyl]methyl]-1-propanamine IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-1-amine Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propyl-[3-(2-pyrimidyloxy)benzyl]amine Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCCNCC3=CC(=CC=C3)OC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCCNCC3=CC(=CC=C3)OC4=NC=CC=N4

InChI

InChI=1S/C21H21N7OS/c1-2-8-18(9-3-1)28-21(25-26-27-28)30-14-6-11-22-16-17-7-4-10-19(15-17)29-20-23-12-5-13-24-20/h1-5,7-10,12-13,15,22H,6,11,14,16H2