1-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-12(24)13-4-6-14(7-5-13)22-18-16(23(25)26)17(20-11-21-18)19-9-8-15-3-2-10-27-15/h2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22)