6-(4-methylpiperazin-1-yl)-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-N-(3-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-N-(3-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-N-(3-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-methyl-2-pyridyl)amine Formula: C15H19N7O2 MolecularWeight: 329.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C15H19N7O2/c1-11-4-3-5-16-13(11)19-14-12(22(23)24)15(18-10-17-14)21-8-6-20(2)7-9-21/h3-5,10H,6-9H2,1-2H3,(H,16,17,18,19)