[5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl]imino-azanylidene-azanium

Systemtic Name: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl]imino-azanylidene-azanium Openeye Name: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)tetrahydrofuran-3-yl]imino-imino-ammonium CAS Name: [5-(6-aminopurin-9-yl)-4-(ethylthio)-2-(hydroxymethyl)-3-oxolanyl]imino-iminoammonium IUPAC Name: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl]imino-iminoazanium Traditional Name: [5-adenin-9-yl-4-(ethylthio)-2-methylol-tetrahydrofuran-3-yl]imino-imino-ammonium Formula: C12H17N8O2S+ MolecularWeight: 337.38078

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=N

Isomeric SMILES

CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=N

InChI

InChI=1S/C12H17N8O2S/c1-2-23-9-7(18-19-14)6(3-21)22-12(9)20-5-17-8-10(13)15-4-16-11(8)20/h4-7,9,12,14,21H,2-3H2,1H3,(H2,13,15,16)/q+1