1,3-diethyl-3-oxidanidyl-7-oxidanyl-6,7,8,10-tetrahydro-4H-purino[7,8-a]pyrimidin-3-ium-2-one

Systemtic Name: 1,3-diethyl-3-oxidanidyl-7-oxidanyl-6,7,8,10-tetrahydro-4H-purino[7,8-a]pyrimidin-3-ium-2-one Openeye Name: 1,3-diethyl-7-hydroxy-3-oxido-6,7,8,10-tetrahydro-4H-purino[7,8-a]pyrimidin-3-ium-2-one CAS Name: 1,3-diethyl-7-hydroxy-3-oxido-6,7,8,10-tetrahydro-4H-purino[7,8-a]pyrimidin-3-ium-2-one IUPAC Name: 1,3-diethyl-7-hydroxy-3-oxido-6,7,8,10-tetrahydro-4H-purino[7,8-a]pyrimidin-3-ium-2-one Traditional Name: 1,3-diethyl-7-hydroxy-3-oxido-6,7,8,10-tetrahydro-4H-purino[7,8-a]pyrimidin-3-ium-2-one Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C[N+](C1=O)(CC)[O-])N3CC(CN=C3N2)O

Isomeric SMILES

CCN1C2=C(C[N+](C1=O)(CC)[O-])N3CC(CN=C3N2)O

InChI

InChI=1S/C12H19N5O3/c1-3-15-10-9(7-17(20,4-2)12(15)19)16-6-8(18)5-13-11(16)14-10/h8,18H,3-7H2,1-2H3,(H,13,14)