3-iodanylprop-1-ynyl N-butylcarbamate; 1-pyrazolidin-1-ylurea

Systemtic Name: 3-iodanylprop-1-ynyl N-butylcarbamate; 1-pyrazolidin-1-ylurea Openeye Name: 3-iodoprop-1-ynyl N-butylcarbamate; pyrazolidin-1-ylurea CAS Name: N-butylcarbamic acid 3-iodoprop-1-ynyl ester; 1-pyrazolidinylurea IUPAC Name: 3-iodoprop-1-ynyl N-butylcarbamate; pyrazolidin-1-ylurea Traditional Name: N-butylcarbamic acid 3-iodoprop-1-ynyl ester; pyrazolidin-1-ylurea Formula: C12H22IN5O3 MolecularWeight: 411.23925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC#CCI.C1CNN(C1)NC(=O)N

Isomeric SMILES

CCCCNC(=O)OC#CCI.C1CNN(C1)NC(=O)N

InChI

InChI=1S/C8H12INO2.C4H10N4O/c1-2-3-6-10-8(11)12-7-4-5-9;5-4(9)7-8-3-1-2-6-8/h2-3,5-6H2,1H3,(H,10,11);6H,1-3H2,(H3,5,7,9)