4,6-bis(azanyl)-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide

Systemtic Name: 4,6-bis(azanyl)-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4,6-diamino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4,6-diamino-7-(1,3-dihydroxypropan-2-yloxymethyl)-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4,6-diamino-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4,6-diamino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C11H16N6O3S MolecularWeight: 312.34814

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=C(N2COC(CO)CO)N)C(=S)N)C(=N1)N

Isomeric SMILES

C1=NC2=C(C(=C(N2COC(CO)CO)N)C(=S)N)C(=N1)N

InChI

InChI=1S/C11H16N6O3S/c12-8-6-7(10(14)21)9(13)17(11(6)16-3-15-8)4-20-5(1-18)2-19/h3,5,18-19H,1-2,4,13H2,(H2,14,21)(H2,12,15,16)