5-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol

Systemtic Name: 5-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol Openeye Name: 5-[6-(allylamino)-2-amino-purin-9-yl]-2-(hydroxymethyl)tetrahydrothiophen-3-ol CAS Name: 5-[2-amino-6-(prop-2-enylamino)-9-purinyl]-2-(hydroxymethyl)-3-thiolanol IUPAC Name: 5-[2-amino-6-(prop-2-enylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol Traditional Name: 5-[6-(allylamino)-2-amino-purin-9-yl]-2-methylol-tetrahydrothiophen-3-ol Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2C3CC(C(S3)CO)O)N

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2C3CC(C(S3)CO)O)N

InChI

InChI=1S/C13H18N6O2S/c1-2-3-15-11-10-12(18-13(14)17-11)19(6-16-10)9-4-7(21)8(5-20)22-9/h2,6-9,20-21H,1,3-5H2,(H3,14,15,17,18)