5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N7O2/c30-29(31)20-21(23-9-12-26-10-5-2-6-11-26)24-18-25-22(20)28-15-13-27(14-16-28)17-19-7-3-1-4-8-19/h1,3-4,7-8,18H,2,5-6,9-17H2,(H,23,24,25)