1-[6-[(phenylmethyl)amino]purin-9-yl]propan-1-one

Systemtic Name: 1-[6-[(phenylmethyl)amino]purin-9-yl]propan-1-one Openeye Name: 1-[6-(benzylamino)purin-9-yl]propan-1-one CAS Name: 1-[6-[(phenylmethyl)amino]-9-purinyl]-1-propanone IUPAC Name: 1-[6-(benzylamino)purin-9-yl]propan-1-one Traditional Name: 1-[6-(benzylamino)purin-9-yl]propan-1-one Formula: C15H15N5O MolecularWeight: 281.3125

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O/c1-2-12(21)20-10-19-13-14(17-9-18-15(13)20)16-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,16,17,18)