4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine Traditional Name: 5-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6-(4-piperonylpiperazino)pyrimidine Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C27H28N6O4/c34-33(35)25-26(31-10-8-22(9-11-31)21-4-2-1-3-5-21)28-18-29-27(25)32-14-12-30(13-15-32)17-20-6-7-23-24(16-20)37-19-36-23/h1-8,16,18H,9-15,17,19H2