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

Systemtic Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: bis(2-chloroethyl)-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]amine Formula: C16H21Cl2N5 MolecularWeight: 354.27744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C16H21Cl2N5/c1-2-13-14(15(19)22-16(20)21-13)11-3-5-12(6-4-11)23(9-7-17)10-8-18/h3-6H,2,7-10H2,1H3,(H4,19,20,21,22)