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

Systemtic Name: N-butan-2-yl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-butan-2-yl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-sec-butyl-amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H23N7O2/c1-3-13(2)21-16-15(24(25)26)17(20-12-19-16)23-10-8-22(9-11-23)14-6-4-5-7-18-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)