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

Systemtic Name: N-(2-methoxyethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2-methoxyethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(2-methoxyethyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2-methoxyethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 2-methoxyethyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N6O3/c1-26-12-7-18-16-15(23(24)25)17(20-13-19-16)22-10-8-21(9-11-22)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19,20)