1-[(1H-benzimidazol-2-ylamino)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(1H-benzimidazol-2-ylamino)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(1H-benzimidazol-2-ylamino)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[(1H-benzimidazol-2-ylamino)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(1H-benzimidazol-2-ylamino)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[(1H-benzimidazol-2-ylamino)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CNC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CNC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H18N4O2/c22-15-7-10-5-6-18-14(11(10)8-16(15)23)9-19-17-20-12-3-1-2-4-13(12)21-17/h1-4,7-8,14,18,22-23H,5-6,9H2,(H2,19,20,21)