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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclohexyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclohexyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclohexylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H23N5O2/c19-16-17(20-9-12-6-7-14-15(8-12)25-11-24-14)21-10-22-18(16)23-13-4-2-1-3-5-13/h6-8,10,13H,1-5,9,11,19H2,(H2,20,21,22,23)