5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6H-1,3,4-thiadiazin-2-amine Openeye Name: 5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-N-[[(2R)-2-oxolanyl]methyl]-6H-1,3,4-thiadiazin-2-amine IUPAC Name: 5-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6H-1,3,4-thiadiazin-2-amine Traditional Name: [5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=NN=C(SC3)NCC4CCCO4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=NN=C(SC3)NC[C@H]4CCCO4

InChI

InChI=1S/C22H28N4OS/c1-16-13-20(17(2)26(16)11-10-18-7-4-3-5-8-18)21-15-28-22(25-24-21)23-14-19-9-6-12-27-19/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,23,25)/t19-/m1/s1