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

Systemtic Name: ethyl 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]propanoate Openeye Name: ethyl 3-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-1-yl)propanoate CAS Name: 3-[8-bromo-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)propanoate Traditional Name: 3-(7-benzyl-8-bromo-2,6-diketo-3-methyl-purin-1-yl)propionic acid ethyl ester Formula: C18H19BrN4O4 MolecularWeight: 435.27186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O4/c1-3-27-13(24)9-10-22-16(25)14-15(21(2)18(22)26)20-17(19)23(14)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3