N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C18H25N5O4 MolecularWeight: 375.4222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N5O4/c1-24-7-5-23(6-8-25-2)18-16(19)17(21-11-22-18)20-10-13-3-4-14-15(9-13)27-12-26-14/h3-4,9,11H,5-8,10,12,19H2,1-2H3,(H,20,21,22)