4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-methyl-2-phenylazanyl-pentanoic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-methyl-2-phenylazanyl-pentanoic acid Openeye Name: 2-anilino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methyl-pentanoic acid CAS Name: 2-anilino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methylpentanoic acid IUPAC Name: 2-anilino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methylpentanoic acid Traditional Name: 2-anilino-4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-2-methyl-valeric acid Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC(C)(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC(C)(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O4/c1-5-12-27-19-17(20(29)28(13-6-2)22(27)32)24-18(25-19)15(3)14-23(4,21(30)31)26-16-10-8-7-9-11-16/h7-11,15,26H,5-6,12-14H2,1-4H3,(H,24,25)(H,30,31)