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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N5O5/c1-22-5-4-15-13-12(19(20)21)14(17-7-16-13)18-9-2-3-10-11(6-9)24-8-23-10/h2-3,6-7H,4-5,8H2,1H3,(H2,15,16,17,18)