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

Systemtic Name: propan-2-yl 4-[7-bromanyl-6-(3,4-dimethoxyphenyl)-1-methyl-2,4-bis(oxidanylidene)pteridin-3-yl]butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H25BrN4O6 MolecularWeight: 521.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O6/c1-12(2)33-16(28)7-6-10-27-21(29)18-20(26(3)22(27)30)25-19(23)17(24-18)13-8-9-14(31-4)15(11-13)32-5/h8-9,11-12H,6-7,10H2,1-5H3