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methyl 4-(7H-purin-6-ylamino)benzoate

methyl 4-(7H-purin-6-ylamino)benzoate

Systemtic Name:methyl 4-(7H-purin-6-ylamino)benzoate
Openeye Name:methyl 4-(7H-purin-6-ylamino)benzoate
CAS Name:4-(7H-purin-6-ylamino)benzoic acid methyl ester
IUPAC Name:methyl 4-(7H-purin-6-ylamino)benzoate
Traditional Name:4-(7H-purin-6-ylamino)benzoic acid methyl ester
Formula: C13H11N5O2
MolecularWeight: 269.25874
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3


InChI

InChI=1S/C13H11N5O2/c1-20-13(19)8-2-4-9(5-3-8)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18)


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