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

Systemtic Name: N-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c1-12(25)22-13-4-6-14(7-5-13)23-18-16(24(26)27)17(20-11-21-18)19-9-8-15-3-2-10-28-15/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H2,19,20,21,23)