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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-N-propyl-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methoxyethyl)-5-nitro-N-propyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: 2-methoxyethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-propyl-amine Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H30N6O5/c1-3-6-26(11-12-31-2)21-20(28(29)30)22(24-15-23-21)27-9-7-25(8-10-27)14-17-4-5-18-19(13-17)33-16-32-18/h4-5,13,15H,3,6-12,14,16H2,1-2H3