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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-hexadecyl-pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-hexadecyl-pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-hexadecylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-hexadecylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cetylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C28H45N5O2 MolecularWeight: 483.6892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C28H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-27-26(29)28(33-21-32-27)31-20-23-16-17-24-25(19-23)35-22-34-24/h16-17,19,21H,2-15,18,20,22,29H2,1H3,(H2,30,31,32,33)