2-[bis(2-chloroethyl)aminomethyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-1,2,4-triazine-3,5-quinone Formula: C8H12Cl2N4O2 MolecularWeight: 267.11248

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=O)NC1=O)CN(CCCl)CCCl

Isomeric SMILES

C1=NN(C(=O)NC1=O)CN(CCCl)CCCl

InChI

InChI=1S/C8H12Cl2N4O2/c9-1-3-13(4-2-10)6-14-8(16)12-7(15)5-11-14/h5H,1-4,6H2,(H,12,15,16)