(2S)-N1-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)propane-1,2-diamine

Systemtic Name: (2S)-N1-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)propane-1,2-diamine Openeye Name: (2S)-N1-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)propane-1,2-diamine CAS Name: (2S)-N1-[5-(6-isoquinolinyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)propane-1,2-diamine IUPAC Name: (2S)-1-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)propane-1,2-diamine Traditional Name: [(2S)-2-amino-3-(3-methoxyphenyl)propyl]-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]amine Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CNC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@H](CNC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4)N

InChI

InChI=1S/C21H21N5OS/c1-27-19-4-2-3-14(10-19)9-18(22)13-24-21-26-25-20(28-21)16-5-6-17-12-23-8-7-15(17)11-16/h2-8,10-12,18H,9,13,22H2,1H3,(H,24,26)/t18-/m0/s1