tert-butyl (E)-3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)prop-2-enoate CAS Name: (E)-3-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoate Traditional Name: (E)-3-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)acrylic acid tert-butyl ester Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+