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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C23H31N7O5 MolecularWeight: 485.53614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCCN5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCCN5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H31N7O5/c31-30(32)21-22(24-4-1-5-27-10-12-33-13-11-27)25-16-26-23(21)29-8-6-28(7-9-29)15-18-2-3-19-20(14-18)35-17-34-19/h2-3,14,16H,1,4-13,15,17H2,(H,24,25,26)