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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-hexadecyl-pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-hexadecyl-pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-hexadecylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-hexadecylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-cetyl-amine Formula: C27H43N5O2 MolecularWeight: 469.66262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C27H43N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-26-25(28)27(31-20-30-26)32-22-16-17-23-24(19-22)34-21-33-23/h16-17,19-20H,2-15,18,21,28H2,1H3,(H2,29,30,31,32)