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methyl 4-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]benzoate

methyl 4-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]benzoate

Systemtic Name:methyl 4-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]benzoate
Openeye Name:methyl 4-[(6-oxo-3,7-dihydropurin-2-yl)amino]benzoate
CAS Name:4-[(6-oxo-3,7-dihydropurin-2-yl)amino]benzoic acid methyl ester
IUPAC Name:methyl 4-[(6-oxo-3,7-dihydropurin-2-yl)amino]benzoate
Traditional Name:4-[(6-keto-3,7-dihydropurin-2-yl)amino]benzoic acid methyl ester
Formula: C13H11N5O3
MolecularWeight: 285.25814
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3


InChI

InChI=1S/C13H11N5O3/c1-21-12(20)7-2-4-8(5-3-7)16-13-17-10-9(11(19)18-13)14-6-15-10/h2-6H,1H3,(H3,14,15,16,17,18,19)


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