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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-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-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=CC=CC4=C3N=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4)CC

InChI

InChI=1S/C24H25N5O4/c1-3-5-14-29-22-21(23(31)27-24(29)32)28(4-2)18(26-22)15-33-19(30)12-11-17-9-6-8-16-10-7-13-25-20(16)17/h6-13H,3-5,14-15H2,1-2H3,(H,27,31,32)/b12-11+