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

Systemtic Name: 6-azanyl-5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[bis(2-chloroethyl)aminomethyl]-2-thioxo-1H-pyrimidin-4-one Formula: C9H14Cl2N4OS MolecularWeight: 297.20466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCl)N(CCCl)CC1=C(NC(=S)NC1=O)N

Isomeric SMILES

C(CCl)N(CCCl)CC1=C(NC(=S)NC1=O)N

InChI

InChI=1S/C9H14Cl2N4OS/c10-1-3-15(4-2-11)5-6-7(12)13-9(17)14-8(6)16/h1-5H2,(H4,12,13,14,16,17)