methyl 4-[2-(7H-purin-6-ylamino)ethyl]benzoate

Systemtic Name: methyl 4-[2-(7H-purin-6-ylamino)ethyl]benzoate Openeye Name: methyl 4-[2-(7H-purin-6-ylamino)ethyl]benzoate CAS Name: 4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(7H-purin-6-ylamino)ethyl]benzoate Traditional Name: 4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid methyl ester Formula: C15H15N5O2 MolecularWeight: 297.3119

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC2=NC=NC3=C2NC=N3

InChI

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