[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H21BrN4O5 MolecularWeight: 465.29784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=CC=C(O3)Br)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C3=CC=C(O3)Br)CC

InChI

InChI=1S/C19H21BrN4O5/c1-3-5-10-24-17-16(18(26)22-19(24)27)23(4-2)14(21-17)11-28-15(25)9-7-12-6-8-13(20)29-12/h6-9H,3-5,10-11H2,1-2H3,(H,22,26,27)/b9-7+