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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4/c29-28(30)20-21(25-17-6-7-18-19(12-17)32-15-31-18)23-14-24-22(20)27-10-8-26(9-11-27)13-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2,(H,23,24,25)