2-[[4-chloranyl-6-(2-dimethylaminoethylamino)-5-methylsulfanyl-pyrimidin-2-yl]-methyl-amino]butanoic acid

Systemtic Name: 2-[[4-chloranyl-6-(2-dimethylaminoethylamino)-5-methylsulfanyl-pyrimidin-2-yl]-methyl-amino]butanoic acid Openeye Name: 2-[[4-chloro-6-(2-dimethylaminoethylamino)-5-methylsulfanyl-pyrimidin-2-yl]-methyl-amino]butanoic acid CAS Name: 2-[[4-chloro-6-(2-dimethylaminoethylamino)-5-(methylthio)-2-pyrimidinyl]-methylamino]butanoic acid IUPAC Name: 2-[[4-chloro-6-(2-dimethylaminoethylamino)-5-methylsulfanylpyrimidin-2-yl]-methylamino]butanoic acid Traditional Name: 2-[[4-chloro-6-(2-dimethylaminoethylamino)-5-(methylthio)pyrimidin-2-yl]-methyl-amino]butyric acid Formula: C14H24ClN5O2S MolecularWeight: 361.89066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C)C1=NC(=C(C(=N1)Cl)SC)NCCN(C)C

Isomeric SMILES

CCC(C(=O)O)N(C)C1=NC(=C(C(=N1)Cl)SC)NCCN(C)C

InChI

InChI=1S/C14H24ClN5O2S/c1-6-9(13(21)22)20(4)14-17-11(15)10(23-5)12(18-14)16-7-8-19(2)3/h9H,6-8H2,1-5H3,(H,21,22)(H,16,17,18)