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

Systemtic Name: N-butan-2-yl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-butan-2-yl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-sec-butyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-3-14(2)21-17-16(24(25)26)18(20-13-19-17)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,21)