ethyl 4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21BrN6O5 MolecularWeight: 457.27914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C16H21BrN6O5/c1-4-28-16(27)22-7-5-21(6-8-22)10(24)9-23-12-11(18-14(23)17)13(25)20(3)15(26)19(12)2/h4-9H2,1-3H3