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

Systemtic Name: 5-azanyl-3-[(2S,3R,4S,5S)-5-(methylsulfanylmethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-amino-3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-amino-3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(methylthio)methyl]-2-pyrrolidinyl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-amino-3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-amino-3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(methylthio)methyl]pyrrolidin-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one Formula: C11H16N6O3S MolecularWeight: 312.34814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N6O3S/c1-21-2-3-8(18)9(19)6(13-3)5-4-7(17-16-5)10(20)15-11(12)14-4/h3,6,8-9,13,18-19H,2H2,1H3,(H,16,17)(H3,12,14,15,20)/t3-,6+,8+,9-/m1/s1