N6-bis(2-chloroethylamino)phosphoryl-N2,N2,7-trimethyl-purine-2,6-diamine

Systemtic Name: N6-bis(2-chloroethylamino)phosphoryl-N2,N2,7-trimethyl-purine-2,6-diamine Openeye Name: N6-bis(2-chloroethylamino)phosphoryl-N2,N2,7-trimethyl-purine-2,6-diamine CAS Name: N6-bis(2-chloroethylamino)phosphoryl-N2,N2,7-trimethylpurine-2,6-diamine IUPAC Name: 6-N-bis(2-chloroethylamino)phosphoryl-2-N,2-N,7-trimethylpurine-2,6-diamine Traditional Name: [6-[bis(2-chloroethylamino)phosphorylamino]-7-methyl-purin-2-yl]-dimethyl-amine Formula: C12H21Cl2N8OP MolecularWeight: 395.227901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=NC(=N2)N(C)C)NP(=O)(NCCCl)NCCCl

Isomeric SMILES

CN1C=NC2=C1C(=NC(=N2)N(C)C)NP(=O)(NCCCl)NCCCl

InChI

InChI=1S/C12H21Cl2N8OP/c1-21(2)12-18-10-9(22(3)8-15-10)11(19-12)20-24(23,16-6-4-13)17-7-5-14/h8H,4-7H2,1-3H3,(H3,16,17,18,19,20,23)