5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-2-thioxo-1H-pyrimidin-4-one hydrochloride CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-2-thioxo-1H-pyrimidin-4-one hydrochloride Formula: C9H14Cl3N3OS MolecularWeight: 318.65096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13Cl2N3OS.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