N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butyl-4-N-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-butyl-methyl-amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N5O2/c1-3-4-7-22(2)17-15(18)16(20-10-21-17)19-9-12-5-6-13-14(8-12)24-11-23-13/h5-6,8,10H,3-4,7,9,11,18H2,1-2H3,(H,19,20,21)