2-(4,6-dimethylpyrimidin-2-yl)-1-(2-phenyl-1,3-benzodioxol-5-yl)guanidine

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-phenyl-1,3-benzodioxol-5-yl)guanidine Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-phenyl-1,3-benzodioxol-5-yl)guanidine CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-(2-phenyl-1,3-benzodioxol-5-yl)guanidine IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-phenyl-1,3-benzodioxol-5-yl)guanidine Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-phenyl-1,3-benzodioxol-5-yl)guanidine Formula: C20H19N5O2 MolecularWeight: 361.39716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)NC2=CC3=C(C=C2)OC(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC3=C(C=C2)OC(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5O2/c1-12-10-13(2)23-20(22-12)25-19(21)24-15-8-9-16-17(11-15)27-18(26-16)14-6-4-3-5-7-14/h3-11,18H,1-2H3,(H3,21,22,23,24,25)