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

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-2-thioxo-1H-pyrimidin-4-one Formula: C9H13Cl2N3OS MolecularWeight: 282.19002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13Cl2N3OS/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)