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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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