5-nitro-N-(3-propan-2-yloxypropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(3-propan-2-yloxypropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3-isopropoxypropyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 5-nitro-N-(3-propan-2-yloxypropyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5-nitro-N-(3-propan-2-yloxypropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 3-isopropoxypropyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C19H27N7O3 MolecularWeight: 401.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H27N7O3/c1-15(2)29-13-5-8-21-18-17(26(27)28)19(23-14-22-18)25-11-9-24(10-12-25)16-6-3-4-7-20-16/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,21,22,23)