7-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-azanyl-pyrrolo[2,3-d]pyrimidine-5-carbothioamide

Systemtic Name: 7-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-azanyl-pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4-amino-7-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4-amino-7-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4-amino-7-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4-amino-7-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1C3C(C(C(O3)CN)O)O)N=CN=C2N)C(=S)N

Isomeric SMILES

C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N=CN=C2N)C(=S)N

InChI

InChI=1S/C12H16N6O3S/c13-1-5-7(19)8(20)12(21-5)18-2-4(10(15)22)6-9(14)16-3-17-11(6)18/h2-3,5,7-8,12,19-20H,1,13H2,(H2,15,22)(H2,14,16,17)/t5-,7-,8-,12-/m1/s1