N,N-bis(2-chloroethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]aniline Openeye Name: N,N-bis(2-chloroethyl)-4-[(E)-2-pyrimidin-4-ylvinyl]aniline CAS Name: N,N-bis(2-chloroethyl)-4-[(E)-2-(4-pyrimidinyl)ethenyl]aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]aniline Traditional Name: bis(2-chloroethyl)-[4-[(E)-2-(4-pyrimidyl)vinyl]phenyl]amine Formula: C16H17Cl2N3 MolecularWeight: 322.23228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC=NC=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC=NC=C2)N(CCCl)CCCl

InChI

InChI=1S/C16H17Cl2N3/c17-8-11-21(12-9-18)16-5-2-14(3-6-16)1-4-15-7-10-19-13-20-15/h1-7,10,13H,8-9,11-12H2/b4-1+