N-(1,3-benzodioxol-5-yl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]isonipecotamide Formula: C20H22N6O5 MolecularWeight: 426.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22N6O5/c27-19(23-14-3-4-16-17(9-14)31-11-30-16)12-5-7-25(8-6-12)20-21-10-15(26(28)29)18(24-20)22-13-1-2-13/h3-4,9-10,12-13H,1-2,5-8,11H2,(H,23,27)(H,21,22,24)