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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: 2-morpholinoethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C22H29N7O5 MolecularWeight: 471.50956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCN5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCN5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H29N7O5/c30-29(31)20-21(23-3-4-26-9-11-32-12-10-26)24-15-25-22(20)28-7-5-27(6-8-28)14-17-1-2-18-19(13-17)34-16-33-18/h1-2,13,15H,3-12,14,16H2,(H,23,24,25)