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

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-methyl-2-phenylsulfanyl-pentanoic acid Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methyl-2-phenylsulfanyl-pentanoic acid CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methyl-2-(phenylthio)pentanoic acid IUPAC Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methyl-2-phenylsulfanylpentanoic acid Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-2-methyl-2-(phenylthio)valeric acid Formula: C23H30N4O4S MolecularWeight: 458.5737

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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)SC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC(C)(C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c1-5-12-26-19-17(20(28)27(13-6-2)22(26)31)24-18(25-19)15(3)14-23(4,21(29)30)32-16-10-8-7-9-11-16/h7-11,15H,5-6,12-14H2,1-4H3,(H,24,25)(H,29,30)