ethyl 4-[7-bromanyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]butanoate

Systemtic Name: ethyl 4-[7-bromanyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]butanoate Openeye Name: ethyl 4-(7-bromo-1-methyl-2,4-dioxo-6-phenyl-pteridin-3-yl)butanoate CAS Name: 4-(7-bromo-1-methyl-2,4-dioxo-6-phenyl-3-pteridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(7-bromo-1-methyl-2,4-dioxo-6-phenylpteridin-3-yl)butanoate Traditional Name: 4-(7-bromo-2,4-diketo-1-methyl-6-phenyl-pteridin-3-yl)butyric acid ethyl ester Formula: C19H19BrN4O4 MolecularWeight: 447.28256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(N=C(C(=N2)C3=CC=CC=C3)Br)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(N=C(C(=N2)C3=CC=CC=C3)Br)N(C1=O)C

InChI

InChI=1S/C19H19BrN4O4/c1-3-28-13(25)10-7-11-24-18(26)15-17(23(2)19(24)27)22-16(20)14(21-15)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3