1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitroso-urea

Systemtic Name: 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitroso-urea Openeye Name: 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-[(2-methyl-5-pyrimidinyl)methyl]-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitroso-urea Formula: C9H12ClN5O2 MolecularWeight: 257.67688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)CNC(=O)N(CCCl)N=O

Isomeric SMILES

CC1=NC=C(C=N1)CNC(=O)N(CCCl)N=O

InChI

InChI=1S/C9H12ClN5O2/c1-7-11-4-8(5-12-7)6-13-9(16)15(14-17)3-2-10/h4-5H,2-3,6H2,1H3,(H,13,16)