N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O5/c23-22(24)15-16(18-7-11-3-4-13-14(6-11)27-10-26-13)20-9-21-17(15)19-8-12-2-1-5-25-12/h3-4,6,9,12H,1-2,5,7-8,10H2,(H2,18,19,20,21)