5-nitro-6-(4-phenylpiperazin-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2/c29-28(30)19-20(22-9-12-25-10-5-2-6-11-25)23-17-24-21(19)27-15-13-26(14-16-27)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2,(H,22,23,24)