N6-(1,3-benzodioxol-5-ylmethyl)-N4-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-furylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-furanylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2-furfurylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CO4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CO4)N

InChI

InChI=1S/C17H17N5O3/c18-15-16(19-7-11-3-4-13-14(6-11)25-10-24-13)21-9-22-17(15)20-8-12-2-1-5-23-12/h1-6,9H,7-8,10,18H2,(H2,19,20,21,22)