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

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-6-methyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-6-methyl-2-thioxo-1H-pyrimidin-4-one Formula: C10H15Cl2N3OS MolecularWeight: 296.2166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CN(CCCl)CCCl

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CN(CCCl)CCCl

InChI

InChI=1S/C10H15Cl2N3OS/c1-7-8(9(16)14-10(17)13-7)6-15(4-2-11)5-3-12/h2-6H2,1H3,(H2,13,14,16,17)