N,N-bis(2-chloroethyl)-3-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]aniline

Systemtic Name: N,N-bis(2-chloroethyl)-3-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]aniline Openeye Name: N,N-bis(2-chloroethyl)-3-methyl-4-[(E)-2-pyrimidin-4-ylvinyl]aniline CAS Name: N,N-bis(2-chloroethyl)-3-methyl-4-[(E)-2-(4-pyrimidinyl)ethenyl]aniline IUPAC Name: N,N-bis(2-chloroethyl)-3-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]aniline Traditional Name: bis(2-chloroethyl)-[3-methyl-4-[(E)-2-(4-pyrimidyl)vinyl]phenyl]amine Formula: C17H19Cl2N3 MolecularWeight: 336.25886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=CC2=NC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)/C=C/C2=NC=NC=C2

InChI

InChI=1S/C17H19Cl2N3/c1-14-12-17(22(10-7-18)11-8-19)5-3-15(14)2-4-16-6-9-20-13-21-16/h2-6,9,12-13H,7-8,10-11H2,1H3/b4-2+