N-[3-[1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7H-purin-6-amine

Systemtic Name: N-[3-[1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7H-purin-6-amine Openeye Name: N-[3-[1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7H-purin-6-amine CAS Name: N-[3-[1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7H-purin-6-amine IUPAC Name: N-[3-[1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7H-purin-6-amine Traditional Name: bis(2-chloroethyl)-[1-[3-(7H-purin-6-ylamino)phenyl]ethyl]amine Formula: C17H20Cl2N6 MolecularWeight: 379.2869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC2=NC=NC3=C2NC=N3)N(CCCl)CCCl

Isomeric SMILES

CC(C1=CC(=CC=C1)NC2=NC=NC3=C2NC=N3)N(CCCl)CCCl

InChI

InChI=1S/C17H20Cl2N6/c1-12(25(7-5-18)8-6-19)13-3-2-4-14(9-13)24-17-15-16(21-10-20-15)22-11-23-17/h2-4,9-12H,5-8H2,1H3,(H2,20,21,22,23,24)