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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C28H26N6O4 MolecularWeight: 510.54384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H26N6O4/c35-34(36)26-27(31-22-11-12-23-24(17-22)38-19-37-23)29-18-30-28(26)33-15-13-32(14-16-33)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,25H,13-16,19H2,(H,29,30,31)