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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-cyclopentyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H17N5O4/c22-21(23)14-15(19-10-3-1-2-4-10)17-8-18-16(14)20-11-5-6-12-13(7-11)25-9-24-12/h5-8,10H,1-4,9H2,(H2,17,18,19,20)