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

Systemtic Name: tert-butyl (E)-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enoate Openeye Name: tert-butyl (E)-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate CAS Name: (E)-3-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate Traditional Name: (E)-3-[4-keto-2-(methylthio)-1H-pteridin-6-yl]acrylic acid tert-butyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-14(2,3)21-9(19)6-5-8-7-15-11-10(16-8)12(20)18-13(17-11)22-4/h5-7H,1-4H3,(H,15,17,18,20)/b6-5+