N-(2,3-dihydro-1H-inden-2-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1H-inden-2-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-indan-2-yl-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: indan-2-yl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4CC5=CC=CC=C5C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4CC5=CC=CC=C5C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O2/c30-29(31)20-21(26-18-13-16-5-1-2-6-17(16)14-18)24-15-25-22(20)28-11-9-27(10-12-28)19-7-3-4-8-23-19/h1-8,15,18H,9-14H2,(H,24,25,26)