2-[3-methyl-2-oxidanidyl-6-oxidanylidene-8-[(phenylmethyl)amino]purin-7-yl]ethanoate

Systemtic Name: 2-[3-methyl-2-oxidanidyl-6-oxidanylidene-8-[(phenylmethyl)amino]purin-7-yl]ethanoate Openeye Name: 2-[8-(benzylamino)-3-methyl-2-oxido-6-oxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-2-oxido-6-oxo-8-[(phenylmethyl)amino]-7-purinyl]acetate IUPAC Name: 2-[8-(benzylamino)-3-methyl-2-oxido-6-oxopurin-7-yl]acetate Traditional Name: 2-[8-(benzylamino)-6-keto-3-methyl-2-oxido-purin-7-yl]acetate Formula: C15H13N5O4-2 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C1[O-])N(C(=N2)NCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N=C1[O-])N(C(=N2)NCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-19-12-11(13(23)18-15(19)24)20(8-10(21)22)14(17-12)16-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,16,17)(H,21,22)(H,18,23,24)/p-2