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

Systemtic Name: 3-[3-methyl-8-[(3-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxo-purin-7-yl]propanoic acid CAS Name: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxo-7-purinyl]propanoic acid IUPAC Name: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanoic acid Traditional Name: 3-[2,6-diketo-3-methyl-8-(m-toluidino)purin-7-yl]propionic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CCC(=O)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CCC(=O)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H17N5O4/c1-9-4-3-5-10(8-9)17-15-18-13-12(21(15)7-6-11(22)23)14(24)19-16(25)20(13)2/h3-5,8H,6-7H2,1-2H3,(H,17,18)(H,22,23)(H,19,24,25)