N-[2-[[6-[4-(5-nitrothiophen-3-yl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(5-nitrothiophen-3-yl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(5-nitro-3-thiophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(5-nitrothiophene-3-carbonyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C23H25N7O4S MolecularWeight: 495.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CSC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CSC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N7O4S/c1-16(31)24-7-8-25-19-14-20(27-22(26-19)17-5-3-2-4-6-17)28-9-11-29(12-10-28)23(32)18-13-21(30(33)34)35-15-18/h2-6,13-15H,7-12H2,1H3,(H,24,31)(H,25,26,27)