ethyl 7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanylmethanoate

Systemtic Name: ethyl 7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanylmethanoate Openeye Name: ethyl 7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanylformate CAS Name: (7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylthio)formic acid ethyl ester IUPAC Name: ethyl 7,8,9,10-tetrahydro-6H-purino[7,8-a]azepin-4-ylsulfanylformate Traditional Name: (7,8,9,10-tetrahydro-6H-purin[7,8-a]azepin-4-ylthio)formic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SC1=NC=NC2=C1N3CCCCCC3=N2

Isomeric SMILES

CCOC(=O)SC1=NC=NC2=C1N3CCCCCC3=N2

InChI

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