pentyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-purin-7-yl]ethanoate

Systemtic Name: pentyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-purin-7-yl]ethanoate Openeye Name: pentyl 2-[8-(2-anilino-2-oxo-ethyl)sulfanyl-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-[(2-anilino-2-oxoethyl)thio]-3-methyl-2,6-dioxo-7-purinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[8-(2-anilino-2-oxoethyl)sulfanyl-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-[(2-anilino-2-keto-ethyl)thio]-2,6-diketo-3-methyl-purin-7-yl]acetic acid amyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCOC(=O)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H25N5O5S/c1-3-4-8-11-31-16(28)12-26-17-18(25(2)20(30)24-19(17)29)23-21(26)32-13-15(27)22-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,22,27)(H,24,29,30)