N-methyl-5-nitro-N-(phenylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-methyl-5-nitro-N-(phenylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-benzyl-N-methyl-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-methyl-5-nitro-N-(phenylmethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-benzyl-N-methyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: benzyl-methyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N7O2/c1-25(15-17-7-3-2-4-8-17)20-19(28(29)30)21(24-16-23-20)27-13-11-26(12-14-27)18-9-5-6-10-22-18/h2-10,16H,11-15H2,1H3