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

Systemtic Name: N4,N6-bis(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4,N6-bis(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4,N6-bis(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N,6-N-bis(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C20H19N5O4/c21-18-19(22-7-12-1-3-14-16(5-12)28-10-26-14)24-9-25-20(18)23-8-13-2-4-15-17(6-13)29-11-27-15/h1-6,9H,7-8,10-11,21H2,(H2,22,23,24,25)