methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate

Systemtic Name: methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate Openeye Name: methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate CAS Name: 3-[4-(7H-purin-6-ylamino)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate Traditional Name: 3-[4-(7H-purin-6-ylamino)phenyl]propionic acid methyl ester Formula: C15H15N5O2 MolecularWeight: 297.3119

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H15N5O2/c1-22-12(21)7-4-10-2-5-11(6-3-10)20-15-13-14(17-8-16-13)18-9-19-15/h2-3,5-6,8-9H,4,7H2,1H3,(H2,16,17,18,19,20)