2-[8-(2-bromanyl-4-propan-2-yl-phenyl)-4-chloranyl-2-methyl-6-oxidanylidene-7H-pteridin-5-yl]ethanoate

Systemtic Name: 2-[8-(2-bromanyl-4-propan-2-yl-phenyl)-4-chloranyl-2-methyl-6-oxidanylidene-7H-pteridin-5-yl]ethanoate Openeye Name: 2-[8-(2-bromo-4-isopropyl-phenyl)-4-chloro-2-methyl-6-oxo-7H-pteridin-5-yl]acetate CAS Name: 2-[8-(2-bromo-4-propan-2-ylphenyl)-4-chloro-2-methyl-6-oxo-7H-pteridin-5-yl]acetate IUPAC Name: 2-[8-(2-bromo-4-propan-2-ylphenyl)-4-chloro-2-methyl-6-oxo-7H-pteridin-5-yl]acetate Traditional Name: 2-[8-(2-bromo-4-isopropyl-phenyl)-4-chloro-6-keto-2-methyl-7H-pteridin-5-yl]acetate Formula: C18H17BrClN4O3- MolecularWeight: 452.70958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)Cl)N(C(=O)CN2C3=C(C=C(C=C3)C(C)C)Br)CC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=N1)Cl)N(C(=O)CN2C3=C(C=C(C=C3)C(C)C)Br)CC(=O)[O-]

InChI

InChI=1S/C18H18BrClN4O3/c1-9(2)11-4-5-13(12(19)6-11)23-7-14(25)24(8-15(26)27)16-17(20)21-10(3)22-18(16)23/h4-6,9H,7-8H2,1-3H3,(H,26,27)/p-1