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

Systemtic Name: butyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: butyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[8-bromo-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]acetic acid butyl ester IUPAC Name: butyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(7-benzyl-8-bromo-2,6-diketo-3-methyl-purin-1-yl)acetic acid butyl ester Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O4/c1-3-4-10-28-14(25)12-24-17(26)15-16(22(2)19(24)27)21-18(20)23(15)11-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3