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

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2S/c27-26(28)18-19(21-9-8-17-7-4-14-29-17)22-15-23-20(18)25-12-10-24(11-13-25)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H,21,22,23)