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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-[2-(2-pyridyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-[2-(2-pyridinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-[2-(2-pyridyl)ethyl]amine Formula: C23H25N7O4 MolecularWeight: 463.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCC5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCC5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O4/c31-30(32)21-22(25-8-6-18-3-1-2-7-24-18)26-15-27-23(21)29-11-9-28(10-12-29)14-17-4-5-19-20(13-17)34-16-33-19/h1-5,7,13,15H,6,8-12,14,16H2,(H,25,26,27)