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

Systemtic Name: 3-[(5-azanyl-6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: 3-[(5-amino-6-chloro-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 3-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-4-hydroxy-1-pyrrolidinecarboxylate IUPAC Name: 3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 3-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]-4-hydroxy-pyrrolidine-1-carboxylate Formula: C12H17ClN5O3S- MolecularWeight: 346.81308

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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)/p-1