6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(2-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-(2-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(2-pyridylmethyl)amine Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O4/c30-29(31)20-21(24-12-17-3-1-2-6-23-17)25-14-26-22(20)28-9-7-27(8-10-28)13-16-4-5-18-19(11-16)33-15-32-18/h1-6,11,14H,7-10,12-13,15H2,(H,24,25,26)