4-[4-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylamino]phenyl]benzenecarboximidamide

Systemtic Name: 4-[4-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylamino]phenyl]benzenecarboximidamide Openeye Name: 4-[4-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylamino]phenyl]benzamidine CAS Name: 4-[4-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]phenyl]benzenecarboximidamide IUPAC Name: 4-[4-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylamino]phenyl]benzenecarboximidamide Traditional Name: 4-[4-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylamino]phenyl]benzamidine Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CNC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CNC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O2/c1-13-20(27)19(12-26)17(10-24-13)11-25-18-8-6-15(7-9-18)14-2-4-16(5-3-14)21(22)23/h2-10,25-27H,11-12H2,1H3,(H3,22,23)