tert-butyl (E)-3-[2,4-bis(oxidanylidene)-1H-pteridin-6-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[2,4-bis(oxidanylidene)-1H-pteridin-6-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-(2,4-dioxo-1H-pteridin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,4-dioxo-1H-pteridin-6-yl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(2,4-dioxo-1H-pteridin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,4-diketo-1H-pteridin-6-yl)acrylic acid tert-butyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CN=C2C(=N1)C(=O)NC(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-13(2,3)21-8(18)5-4-7-6-14-10-9(15-7)11(19)17-12(20)16-10/h4-6H,1-3H3,(H2,14,16,17,19,20)/b5-4+