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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H25N5O2/c20-17-18(21-10-13-7-8-15-16(9-13)26-12-25-15)22-11-23-19(17)24-14-5-3-1-2-4-6-14/h7-9,11,14H,1-6,10,12,20H2,(H2,21,22,23,24)