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

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-pyrimidin-2-yl-butanamide Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-pyrimidin-2-yl-butanamide CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(2-pyrimidinyl)butanamide IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-pyrimidin-2-ylbutanamide Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(2-pyrimidyl)butyramide Formula: C18H22Cl2N4O MolecularWeight: 381.29948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2N4O/c19-9-13-24(14-10-20)16-7-5-15(6-8-16)3-1-4-17(25)23-18-21-11-2-12-22-18/h2,5-8,11-12H,1,3-4,9-10,13-14H2,(H,21,22,23,25)