[3-chloranyl-4-[(2-chloroethylamino)methyl]pyridin-2-yl]-pyrimidin-2-yl-methanethiol hydrochloride

Systemtic Name: [3-chloranyl-4-[(2-chloroethylamino)methyl]pyridin-2-yl]-pyrimidin-2-yl-methanethiol hydrochloride Openeye Name: [3-chloro-4-[(2-chloroethylamino)methyl]-2-pyridyl]-pyrimidin-2-yl-methanethiol hydrochloride CAS Name: [3-chloro-4-[(2-chloroethylamino)methyl]-2-pyridinyl]-(2-pyrimidinyl)methanethiol hydrochloride IUPAC Name: [3-chloro-4-[(2-chloroethylamino)methyl]pyridin-2-yl]-pyrimidin-2-ylmethanethiol hydrochloride Traditional Name: [3-chloro-4-[(2-chloroethylamino)methyl]-2-pyridyl]-(2-pyrimidyl)methanethiol hydrochloride Formula: C13H15Cl3N4S MolecularWeight: 365.709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C(C2=NC=CC(=C2Cl)CNCCCl)S.Cl

Isomeric SMILES

C1=CN=C(N=C1)C(C2=NC=CC(=C2Cl)CNCCCl)S.Cl

InChI

InChI=1S/C13H14Cl2N4S.ClH/c14-3-7-16-8-9-2-6-17-11(10(9)15)12(20)13-18-4-1-5-19-13;/h1-2,4-6,12,16,20H,3,7-8H2;1H