2-(6-aminopurin-9-yl)-1-(4-methylphenyl)ethanone

Systemtic Name: 2-(6-aminopurin-9-yl)-1-(4-methylphenyl)ethanone Openeye Name: 2-(6-aminopurin-9-yl)-1-(p-tolyl)ethanone CAS Name: 2-(6-aminopurin-9-yl)-1-(4-methylphenyl)ethanone IUPAC Name: 2-(6-aminopurin-9-yl)-1-(4-methylphenyl)ethanone Traditional Name: 2-adenin-9-yl-1-(p-tolyl)ethanone Formula: C14H13N5O MolecularWeight: 267.28592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C14H13N5O/c1-9-2-4-10(5-3-9)11(20)6-19-8-18-12-13(15)16-7-17-14(12)19/h2-5,7-8H,6H2,1H3,(H2,15,16,17)