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3,7-dihydropurin-6-one; 7H-purin-6-amine; 1-pyridin-2-ylethanone

3,7-dihydropurin-6-one; 7H-purin-6-amine; 1-pyridin-2-ylethanone

Systemtic Name:3,7-dihydropurin-6-one; 7H-purin-6-amine; 1-pyridin-2-ylethanone
Openeye Name:3,7-dihydropurin-6-one; 7H-purin-6-amine; 1-(2-pyridyl)ethanone
CAS Name:3,7-dihydropurin-6-one; 7H-purin-6-amine; 1-(2-pyridinyl)ethanone
IUPAC Name:3,7-dihydropurin-6-one; 7H-purin-6-amine; 1-pyridin-2-ylethanone
Traditional Name:7H-adenine; 3,7-dihydropurin-6-one; 1-(2-pyridyl)ethanone
Formula: C17H16N10O2
MolecularWeight: 392.37474
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=N1.C1=NC2=C(N1)C(=O)N=CN2.C1=NC2=C(N1)C(=NC=N2)N


Isomeric SMILES

CC(=O)C1=CC=CC=N1.C1=NC2=C(N1)C(=O)N=CN2.C1=NC2=C(N1)C(=NC=N2)N


InChI

InChI=1S/C7H7NO.C5H5N5.C5H4N4O/c1-6(9)7-4-2-3-5-8-7;6-4-3-5(9-1-7-3)10-2-8-4;10-5-3-4(7-1-6-3)8-2-9-5/h2-5H,1H3;1-2H,(H3,6,7,8,9,10);1-2H,(H2,6,7,8,9,10)


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