5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione hydrochloride

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione hydrochloride Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione hydrochloride CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione hydrochloride IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione hydrochloride Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]uracil hydrochloride Formula: C9H14Cl3N3O2 MolecularWeight: 302.58536

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)N1)CN(CCCl)CCCl.Cl

Isomeric SMILES

C1=C(C(=O)NC(=O)N1)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C9H13Cl2N3O2.ClH/c10-1-3-14(4-2-11)6-7-5-12-9(16)13-8(7)15;/h5H,1-4,6H2,(H2,12,13,15,16);1H