1-butyl-3-[[6-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-4-yl]carbonylamino]urea

Systemtic Name: 1-butyl-3-[[6-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-4-yl]carbonylamino]urea Openeye Name: 1-butyl-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]pyrimidine-4-carbonyl]amino]urea CAS Name: 1-butyl-3-[[[6-[(E)-2-(3-nitrophenyl)ethenyl]-4-pyrimidinyl]-oxomethyl]amino]urea IUPAC Name: 1-butyl-3-[[6-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-4-carbonyl]amino]urea Traditional Name: 1-butyl-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]pyrimidine-4-carbonyl]amino]urea Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NNC(=O)C1=NC=NC(=C1)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NNC(=O)C1=NC=NC(=C1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c1-2-3-9-19-18(26)23-22-17(25)16-11-14(20-12-21-16)8-7-13-5-4-6-15(10-13)24(27)28/h4-8,10-12H,2-3,9H2,1H3,(H,22,25)(H2,19,23,26)/b8-7+