[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate CAS Name: 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate Traditional Name: 2-(2-keto-1,3-benzoxazol-3-yl)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CN3C4=CC=CC=C4OC3=O)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CN3C4=CC=CC=C4OC3=O)CC

InChI

InChI=1S/C21H23N5O6/c1-3-5-10-25-18-17(19(28)23-20(25)29)24(4-2)15(22-18)12-31-16(27)11-26-13-8-6-7-9-14(13)32-21(26)30/h6-9H,3-5,10-12H2,1-2H3,(H,23,28,29)