3-[(2S,3R,4S,5S)-5-(methylsulfanylmethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 3-[(2S,3R,4S,5S)-5-(methylsulfanylmethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(methylthio)methyl]-2-pyrrolidinyl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(methylthio)methyl]pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(N1)C2=C3C(=NN2)C(=O)NC(=O)N3)O)O

Isomeric SMILES

CSC[C@@H]1[C@@H]([C@@H]([C@@H](N1)C2=C3C(=NN2)C(=O)NC(=O)N3)O)O

InChI

InChI=1S/C11H15N5O4S/c1-21-2-3-8(17)9(18)6(12-3)5-4-7(16-15-5)10(19)14-11(20)13-4/h3,6,8-9,12,17-18H,2H2,1H3,(H,15,16)(H2,13,14,19,20)/t3-,6+,8+,9-/m1/s1