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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-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 (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H24N4O4S2 MolecularWeight: 484.59106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(=CC3=CC=CS3)C4=CC=CS4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C(=C/C3=CC=CS3)/C4=CC=CS4)CC

InChI

InChI=1S/C23H24N4O4S2/c1-3-5-10-27-20-19(21(28)25-23(27)30)26(4-2)18(24-20)14-31-22(29)16(17-9-7-12-33-17)13-15-8-6-11-32-15/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,25,28,30)/b16-13+