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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4/c30-29(31)21-22(24-13-18-6-7-19-20(12-18)33-16-32-19)25-15-26-23(21)28-10-8-27(9-11-28)14-17-4-2-1-3-5-17/h1-7,12,15H,8-11,13-14,16H2,(H,24,25,26)