[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-phenyl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-phenyl-1,3-thiazol-4-yl)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(2-phenylthiazol-4-yl)acetate CAS Name: 2-(2-phenyl-4-thiazolyl)acetic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(2-phenylthiazol-4-yl)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CSC(=N3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CSC(=N3)C4=CC=CC=C4)CCC

InChI

InChI=1S/C24H27N5O4S/c1-3-5-12-29-21-20(22(31)27-24(29)32)28(11-4-2)18(26-21)14-33-19(30)13-17-15-34-23(25-17)16-9-7-6-8-10-16/h6-10,15H,3-5,11-14H2,1-2H3,(H,27,31,32)