tert-butyl N-[(E)-4-[2,6-dimethoxy-4-[(E)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethenyl]phenoxy]but-2-enyl]carbamate

Systemtic Name: tert-butyl N-[(E)-4-[2,6-dimethoxy-4-[(E)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethenyl]phenoxy]but-2-enyl]carbamate Openeye Name: tert-butyl N-[(E)-4-[2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)vinyl]phenoxy]but-2-enyl]carbamate CAS Name: N-[(E)-4-[2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)ethenyl]phenoxy]but-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-4-[2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]but-2-enyl]carbamate Traditional Name: N-[(E)-4-[4-[(E)-2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)vinyl]-2,6-dimethoxy-phenoxy]but-2-enyl]carbamic acid tert-butyl ester Formula: C27H35N5O7 MolecularWeight: 541.5961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC=CCOC1=C(C=C(C=C1OC)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC/C=C/COC1=C(C=C(C=C1OC)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)OC

InChI

InChI=1S/C27H35N5O7/c1-27(2,3)39-25(34)28-13-9-10-14-38-22-18(36-7)15-17(16-19(22)37-8)11-12-20-29-23-21(30(20)4)24(33)32(6)26(35)31(23)5/h9-12,15-16H,13-14H2,1-8H3,(H,28,34)/b10-9+,12-11+