pentyl 2-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate

Systemtic Name: pentyl 2-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: pentyl 2-(7-benzyl-3-methyl-8-morpholino-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[3-methyl-8-(4-morpholinyl)-2,6-dioxo-7-(phenylmethyl)-1-purinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-(7-benzyl-3-methyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(7-benzyl-2,6-diketo-3-methyl-8-morpholino-purin-1-yl)acetic acid amyl ester Formula: C24H31N5O5 MolecularWeight: 469.53344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCOCC4)N(C1=O)C

Isomeric SMILES

CCCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCOCC4)N(C1=O)C

InChI

InChI=1S/C24H31N5O5/c1-3-4-8-13-34-19(30)17-29-22(31)20-21(26(2)24(29)32)25-23(27-11-14-33-15-12-27)28(20)16-18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3