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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H17N5O5/c22-21(23)14-15(17-7-11-2-1-5-24-11)18-8-19-16(14)20-10-3-4-12-13(6-10)26-9-25-12/h3-4,6,8,11H,1-2,5,7,9H2,(H2,17,18,19,20)