5-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-[(4-morpholinophenyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[[4-(4-morpholinyl)phenyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-(4-morpholinobenzyl)amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)CNC3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)CNC3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N5O3/c1-4-17(26-7-9-27-10-8-26)5-2-15(1)12-22-21-24-18(13-23-25-21)16-3-6-19-20(11-16)29-14-28-19/h1-6,11,13H,7-10,12,14H2,(H,22,24,25)