1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenyl-urea

Systemtic Name: 1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenyl-urea Openeye Name: 1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenyl-urea CAS Name: 1-[1,3-benzodioxol-5-ylmethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-phenylurea IUPAC Name: 1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenylurea Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-piperonyl-amidino]-3-phenyl-urea Formula: C22H22N6O3 MolecularWeight: 418.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N6O3/c1-14-10-15(2)25-21(24-14)27-20(28-22(29)26-17-6-4-3-5-7-17)23-12-16-8-9-18-19(11-16)31-13-30-18/h3-11H,12-13H2,1-2H3,(H3,23,24,25,26,27,28,29)