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

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-6-propyl-2-thioxo-1H-pyrimidin-4-one Formula: C12H19Cl2N3OS MolecularWeight: 324.26976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19Cl2N3OS/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)