4,6-bis(azanyl)-5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2-thione

Systemtic Name: 4,6-bis(azanyl)-5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2-thione Openeye Name: 4,6-diamino-5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2-thione CAS Name: 4,6-diamino-5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2-thione IUPAC Name: 4,6-diamino-5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2-thione Traditional Name: 4,6-diamino-5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2-thione Formula: C9H15Cl2N5S MolecularWeight: 296.2199

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Descriptors Computed from Structure

Canonical SMILES:

C(CCl)N(CCCl)CC1=C(NC(=S)N=C1N)N

Isomeric SMILES

C(CCl)N(CCCl)CC1=C(NC(=S)N=C1N)N

InChI

InChI=1S/C9H15Cl2N5S/c10-1-3-16(4-2-11)5-6-7(12)14-9(17)15-8(6)13/h1-5H2,(H5,12,13,14,15,17)