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

Systemtic Name: 6-azanyl-5-[bis(2-chloroethyl)aminomethyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C10H16Cl2N4OS MolecularWeight: 311.23124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N)CN(CCCl)CCCl

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)N)CN(CCCl)CCCl

InChI

InChI=1S/C10H16Cl2N4OS/c1-18-10-14-8(13)7(9(17)15-10)6-16(4-2-11)5-3-12/h2-6H2,1H3,(H3,13,14,15,17)