tert-butyl (Z)-2-bromanyl-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enoate

Systemtic Name: tert-butyl (Z)-2-bromanyl-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enoate Openeye Name: tert-butyl (Z)-2-bromo-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate CAS Name: (Z)-2-bromo-3-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-2-bromo-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate Traditional Name: (Z)-2-bromo-3-[4-keto-2-(methylthio)-1H-pteridin-6-yl]acrylic acid tert-butyl ester Formula: C14H15BrN4O3S MolecularWeight: 399.2629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1=CN=C2C(=N1)C(=O)N=C(N2)SC)Br

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/C1=CN=C2C(=N1)C(=O)N=C(N2)SC)/Br

InChI

InChI=1S/C14H15BrN4O3S/c1-14(2,3)22-12(21)8(15)5-7-6-16-10-9(17-7)11(20)19-13(18-10)23-4/h5-6H,1-4H3,(H,16,18,19,20)/b8-5-