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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[3-(1-imidazolyl)propyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCCN4C=CN=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCCN4C=CN=C4)N

InChI

InChI=1S/C18H21N7O2/c19-16-17(21-4-1-6-25-7-5-20-11-25)23-10-24-18(16)22-9-13-2-3-14-15(8-13)27-12-26-14/h2-3,5,7-8,10-11H,1,4,6,9,12,19H2,(H2,21,22,23,24)