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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(1H-indol-3-yl)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)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-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CNC4=CC=CC=C43)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CNC4=CC=CC=C43)CCC

InChI

InChI=1S/C23H27N5O4/c1-3-5-11-28-21-20(22(30)26-23(28)31)27(10-4-2)18(25-21)14-32-19(29)12-15-13-24-17-9-7-6-8-16(15)17/h6-9,13,24H,3-5,10-12,14H2,1-2H3,(H,26,30,31)