N6-(1,3-benzodioxol-5-yl)-N4-methyl-N4-phenyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-methyl-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-methyl-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-methyl-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-phenyl-amine Formula: C18H17N5O2 MolecularWeight: 335.35988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N5O2/c1-23(13-5-3-2-4-6-13)18-16(19)17(20-10-21-18)22-12-7-8-14-15(9-12)25-11-24-14/h2-10H,11,19H2,1H3,(H,20,21,22)