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

Systemtic Name: 6-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[8-bromo-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]hexan-2-yl ester IUPAC Name: 6-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(7-benzyl-8-bromo-2,6-diketo-3-methyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C21H25BrN4O4 MolecularWeight: 477.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C21H25BrN4O4/c1-14(30-15(2)27)9-7-8-12-25-19(28)17-18(24(3)21(25)29)23-20(22)26(17)13-16-10-5-4-6-11-16/h4-6,10-11,14H,7-9,12-13H2,1-3H3