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1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione

1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione

Systemtic Name:1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione
Openeye Name:1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione
CAS Name:1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione
IUPAC Name:1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione
Traditional Name:1-cyclopentyl-1,3-dipropyl-7H-purin-1-ium-2,6-quinone
Formula: C16H25N4O2+
MolecularWeight: 305.3953
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)[N+](C1=O)(CCC)C3CCCC3)NC=N2


Isomeric SMILES

CCCN1C2=C(C(=O)[N+](C1=O)(CCC)C3CCCC3)NC=N2


InChI

InChI=1S/C16H24N4O2/c1-3-9-19-14-13(17-11-18-14)15(21)20(10-4-2,16(19)22)12-7-5-6-8-12/h11-12H,3-10H2,1-2H3/p+1


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