2-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]ethanoic acid Openeye Name: 2-[8-(benzylamino)-3-methyl-2,6-dioxo-purin-7-yl]acetic acid CAS Name: 2-[3-methyl-2,6-dioxo-8-[(phenylmethyl)amino]-7-purinyl]acetic acid IUPAC Name: 2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetic acid Traditional Name: 2-[8-(benzylamino)-2,6-diketo-3-methyl-purin-7-yl]acetic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=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)