1-methyl-N5-[3-(1-morpholin-4-ylisoquinolin-5-yl)oxypropyl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-methyl-N5-[3-(1-morpholin-4-ylisoquinolin-5-yl)oxypropyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-methyl-N5-[3-[(1-morpholino-5-isoquinolyl)oxy]propyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-methyl-N5-[3-[[1-(4-morpholinyl)-5-isoquinolinyl]oxy]propyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-methyl-5-N-[3-(1-morpholin-4-ylisoquinolin-5-yl)oxypropyl]-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-2-methyl-1,2,4-triazol-3-yl)-[3-[(1-morpholino-5-isoquinolyl)oxy]propyl]amine Formula: C19H25N7O2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2C=CN=C3N4CCOCC4

Isomeric SMILES

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2C=CN=C3N4CCOCC4

InChI

InChI=1S/C19H25N7O2/c1-25-19(23-18(20)24-25)22-7-3-11-28-16-5-2-4-15-14(16)6-8-21-17(15)26-9-12-27-13-10-26/h2,4-6,8H,3,7,9-13H2,1H3,(H3,20,22,23,24)