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

Systemtic Name: butyl 2-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O5/c1-3-4-12-33-18(29)16-28-21(30)19-20(25(2)23(28)31)24-22(26-10-13-32-14-11-26)27(19)15-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3