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1-propan-2-yl-3,7-dihydropurine-2,6-dione

1-propan-2-yl-3,7-dihydropurine-2,6-dione

Systemtic Name:1-propan-2-yl-3,7-dihydropurine-2,6-dione
Openeye Name:1-isopropyl-3,7-dihydropurine-2,6-dione
CAS Name:1-propan-2-yl-3,7-dihydropurine-2,6-dione
IUPAC Name:1-propan-2-yl-3,7-dihydropurine-2,6-dione
Traditional Name:1-isopropyl-7H-xanthine
Formula: C8H10N4O2
MolecularWeight: 194.1906
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(NC1=O)N=CN2


Isomeric SMILES

CC(C)N1C(=O)C2=C(NC1=O)N=CN2


InChI

InChI=1S/C8H10N4O2/c1-4(2)12-7(13)5-6(10-3-9-5)11-8(12)14/h3-4H,1-2H3,(H,9,10)(H,11,14)


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