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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-propyl-amine Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N5O4/c1-2-5-16-14-13(20(21)22)15(19-8-18-14)17-7-10-3-4-11-12(6-10)24-9-23-11/h3-4,6,8H,2,5,7,9H2,1H3,(H2,16,17,18,19)