4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylpyrimidin-2-yl)butanamide

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylpyrimidin-2-yl)butanamide Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylpyrimidin-2-yl)butanamide CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methyl-2-pyrimidinyl)butanamide IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylpyrimidin-2-yl)butanamide Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylpyrimidin-2-yl)butyramide Formula: C19H24Cl2N4O MolecularWeight: 395.32606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CC1=NC(=NC=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C19H24Cl2N4O/c1-15-9-12-22-19(23-15)24-18(26)4-2-3-16-5-7-17(8-6-16)25(13-10-20)14-11-21/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,22,23,24,26)