N4-[4-[bis(2-chloroethyl)amino]phenyl]-6-chloranyl-pyrimidine-4,5-diamine

Systemtic Name: N4-[4-[bis(2-chloroethyl)amino]phenyl]-6-chloranyl-pyrimidine-4,5-diamine Openeye Name: N4-[4-[bis(2-chloroethyl)amino]phenyl]-6-chloro-pyrimidine-4,5-diamine CAS Name: N4-[4-[bis(2-chloroethyl)amino]phenyl]-6-chloropyrimidine-4,5-diamine IUPAC Name: 4-N-[4-[bis(2-chloroethyl)amino]phenyl]-6-chloropyrimidine-4,5-diamine Traditional Name: [4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]phenyl]-bis(2-chloroethyl)amine Formula: C14H16Cl3N5 MolecularWeight: 360.66934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC=N2)Cl)N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC=N2)Cl)N)N(CCCl)CCCl

InChI

InChI=1S/C14H16Cl3N5/c15-5-7-22(8-6-16)11-3-1-10(2-4-11)21-14-12(18)13(17)19-9-20-14/h1-4,9H,5-8,18H2,(H,19,20,21)