1,3-bis(2-chloroethyl)-7-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 1,3-bis(2-chloroethyl)-7-methyl-8-nitro-purine-2,6-dione Openeye Name: 1,3-bis(2-chloroethyl)-7-methyl-8-nitro-purine-2,6-dione CAS Name: 1,3-bis(2-chloroethyl)-7-methyl-8-nitropurine-2,6-dione IUPAC Name: 1,3-bis(2-chloroethyl)-7-methyl-8-nitropurine-2,6-dione Traditional Name: 1,3-bis(2-chloroethyl)-7-methyl-8-nitro-xanthine Formula: C10H11Cl2N5O4 MolecularWeight: 336.13144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCCl)CCCl

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCCl)CCCl

InChI

InChI=1S/C10H11Cl2N5O4/c1-14-6-7(13-9(14)17(20)21)15(4-2-11)10(19)16(5-3-12)8(6)18/h2-5H2,1H3