1,5-bis(azanyl)-2-(6-chloranylpyrimidin-4-yl)-4-oxidanyl-2-propylsulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 1,5-bis(azanyl)-2-(6-chloranylpyrimidin-4-yl)-4-oxidanyl-2-propylsulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 1,5-diamino-2-(6-chloropyrimidin-4-yl)-4-hydroxy-2-propylsulfanyl-cyclopentanecarboxylic acid CAS Name: 1,5-diamino-2-(6-chloro-4-pyrimidinyl)-4-hydroxy-2-(propylthio)-1-cyclopentanecarboxylic acid IUPAC Name: 1,5-diamino-2-(6-chloropyrimidin-4-yl)-4-hydroxy-2-propylsulfanylcyclopentane-1-carboxylic acid Traditional Name: 1,5-diamino-2-(6-chloropyrimidin-4-yl)-4-hydroxy-2-(propylthio)cyclopentanecarboxylic acid Formula: C13H19ClN4O3S MolecularWeight: 346.83296

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(CC(C(C1(C(=O)O)N)N)O)C2=CC(=NC=N2)Cl

Isomeric SMILES

CCCSC1(CC(C(C1(C(=O)O)N)N)O)C2=CC(=NC=N2)Cl

InChI

InChI=1S/C13H19ClN4O3S/c1-2-3-22-12(8-4-9(14)18-6-17-8)5-7(19)10(15)13(12,16)11(20)21/h4,6-7,10,19H,2-3,5,15-16H2,1H3,(H,20,21)