N,N-bis(2-chloroethyl)-4-(7H-purin-6-ylsulfanylmethyl)aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-(7H-purin-6-ylsulfanylmethyl)aniline Openeye Name: N,N-bis(2-chloroethyl)-4-(7H-purin-6-ylsulfanylmethyl)aniline CAS Name: N,N-bis(2-chloroethyl)-4-[(7H-purin-6-ylthio)methyl]aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-(7H-purin-6-ylsulfanylmethyl)aniline Traditional Name: bis(2-chloroethyl)-[4-[(7H-purin-6-ylthio)methyl]phenyl]amine Formula: C16H17Cl2N5S MolecularWeight: 382.31068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)N(CCCl)CCCl

InChI

InChI=1S/C16H17Cl2N5S/c17-5-7-23(8-6-18)13-3-1-12(2-4-13)9-24-16-14-15(20-10-19-14)21-11-22-16/h1-4,10-11H,5-9H2,(H,19,20,21,22)