2-[[methyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]phenol

Systemtic Name: 2-[[methyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]phenol Openeye Name: 2-[[methyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]phenol CAS Name: 2-[[methyl-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]methyl]phenol IUPAC Name: 2-[[methyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]phenol Traditional Name: 2-[[methyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]methyl]phenol Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N7O3/c1-25(14-16-6-2-3-7-17(16)29)20-19(28(30)31)21(24-15-23-20)27-12-10-26(11-13-27)18-8-4-5-9-22-18/h2-9,15,29H,10-14H2,1H3