5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-thioxo-1H-pyrimidin-4-one hydrochloride CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one hydrochloride Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-thioxo-1H-pyrimidin-4-one hydrochloride Formula: C12H20Cl3N3OS MolecularWeight: 360.7307

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NC(=S)N1)CN(CCCl)CCCl.Cl

Isomeric SMILES

CCCC1=C(C(=O)NC(=S)N1)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C12H19Cl2N3OS.ClH/c1-2-3-10-9(11(18)16-12(19)15-10)8-17(6-4-13)7-5-14;/h2-8H2,1H3,(H2,15,16,18,19);1H