2-[8-bromanyl-1-ethyl-7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)purin-3-yl]ethyl ethanoate

Systemtic Name: 2-[8-bromanyl-1-ethyl-7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)purin-3-yl]ethyl ethanoate Openeye Name: 2-[8-bromo-1-ethyl-7-[(4-methoxyphenyl)methyl]-2,6-dioxo-purin-3-yl]ethyl acetate CAS Name: acetic acid 2-[8-bromo-1-ethyl-7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-purinyl]ethyl ester IUPAC Name: 2-[8-bromo-1-ethyl-7-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-3-yl]ethyl acetate Traditional Name: acetic acid 2-(8-bromo-1-ethyl-2,6-diketo-7-p-anisyl-purin-3-yl)ethyl ester Formula: C19H21BrN4O5 MolecularWeight: 465.29784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)Br)N(C1=O)CCOC(=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)Br)N(C1=O)CCOC(=O)C

InChI

InChI=1S/C19H21BrN4O5/c1-4-22-17(26)15-16(23(19(22)27)9-10-29-12(2)25)21-18(20)24(15)11-13-5-7-14(28-3)8-6-13/h5-8H,4,9-11H2,1-3H3