1-dodecyl-3-[(5-nitropyrimidin-2-yl)amino]-1-propyl-urea

Systemtic Name: 1-dodecyl-3-[(5-nitropyrimidin-2-yl)amino]-1-propyl-urea Openeye Name: 1-dodecyl-3-[(5-nitropyrimidin-2-yl)amino]-1-propyl-urea CAS Name: 1-dodecyl-3-[(5-nitro-2-pyrimidinyl)amino]-1-propylurea IUPAC Name: 1-dodecyl-3-[(5-nitropyrimidin-2-yl)amino]-1-propylurea Traditional Name: 1-lauryl-3-[(5-nitropyrimidin-2-yl)amino]-1-propyl-urea Formula: C20H36N6O3 MolecularWeight: 408.53824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCC)C(=O)NNC1=NC=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN(CCC)C(=O)NNC1=NC=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C20H36N6O3/c1-3-5-6-7-8-9-10-11-12-13-15-25(14-4-2)20(27)24-23-19-21-16-18(17-22-19)26(28)29/h16-17H,3-15H2,1-2H3,(H,24,27)(H,21,22,23)