3-[(5-azanyl-6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[(5-azanyl-6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylic acid Openeye Name: 3-[(5-amino-6-chloro-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-hydroxy-pyrrolidine-1-carboxylic acid CAS Name: 3-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-4-hydroxy-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-4-hydroxypyrrolidine-1-carboxylic acid Traditional Name: 3-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]-4-hydroxy-pyrrolidine-1-carboxylic acid Formula: C12H18ClN5O3S MolecularWeight: 347.82102

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=N1)Cl)N)NC2CN(CC2O)C(=O)O

Isomeric SMILES

CCCSC1=NC(=C(C(=N1)Cl)N)NC2CN(CC2O)C(=O)O

InChI

InChI=1S/C12H18ClN5O3S/c1-2-3-22-11-16-9(13)8(14)10(17-11)15-6-4-18(12(20)21)5-7(6)19/h6-7,19H,2-5,14H2,1H3,(H,20,21)(H,15,16,17)