ethyl 5-azanyl-3-[[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H15BrN6O4S MolecularWeight: 467.2971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C16H15BrN6O4S/c1-4-27-14(25)10-8(7(5-18)11(19)28-10)6-23-12-9(20-15(23)17)13(24)22(3)16(26)21(12)2/h4,6,19H2,1-3H3