methyl 2-(7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanyl)ethanoate

Systemtic Name: methyl 2-(7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanyl)ethanoate Openeye Name: methyl 2-(7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanyl)acetate CAS Name: 2-(7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylthio)acetic acid methyl ester IUPAC Name: methyl 2-(7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanyl)acetate Traditional Name: 2-(7,8,9,10-tetrahydro-6H-purin[7,8-a]azepin-4-ylthio)acetic acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1N3CCCCCC3=N2

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1N3CCCCCC3=N2

InChI

InChI=1S/C13H16N4O2S/c1-19-10(18)7-20-13-11-12(14-8-15-13)16-9-5-3-2-4-6-17(9)11/h8H,2-7H2,1H3