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

Systemtic Name: ethyl 4-[7-bromanyl-6-(3,4-dimethoxyphenyl)-1-methyl-2,4-bis(oxidanylidene)pteridin-3-yl]butanoate Openeye Name: ethyl 4-[7-bromo-6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-pteridin-3-yl]butanoate CAS Name: 4-[7-bromo-6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-3-pteridinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[7-bromo-6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopteridin-3-yl]butanoate Traditional Name: 4-[7-bromo-6-(3,4-dimethoxyphenyl)-2,4-diketo-1-methyl-pteridin-3-yl]butyric acid ethyl ester Formula: C21H23BrN4O6 MolecularWeight: 507.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O6/c1-5-32-15(27)7-6-10-26-20(28)17-19(25(2)21(26)29)24-18(22)16(23-17)12-8-9-13(30-3)14(11-12)31-4/h8-9,11H,5-7,10H2,1-4H3