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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-benzyl-pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(benzylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NCC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O2/c20-17-18(21-9-13-4-2-1-3-5-13)23-11-24-19(17)22-10-14-6-7-15-16(8-14)26-12-25-15/h1-8,11H,9-10,12,20H2,(H2,21,22,23,24)