2-azanyl-7-[2-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[2-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]ethyl]-3H-purin-6-one Openeye Name: 2-amino-7-[2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]ethyl]-3H-purin-6-one CAS Name: 2-amino-7-[2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylthio]ethyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]ethyl]-3H-purin-6-one Traditional Name: 2-amino-7-[2-[2-(2-amino-6-keto-3H-purin-7-yl)ethylthio]ethyl]-3H-purin-6-one Formula: C14H16N10O2S MolecularWeight: 388.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCSCCN3C=NC4=C3C(=O)N=C(N4)N)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CCSCCN3C=NC4=C3C(=O)N=C(N4)N)C(=O)N=C(N2)N

InChI

InChI=1S/C14H16N10O2S/c15-13-19-9-7(11(25)21-13)23(5-17-9)1-3-27-4-2-24-6-18-10-8(24)12(26)22-14(16)20-10/h5-6H,1-4H2,(H3,15,19,21,25)(H3,16,20,22,26)