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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(1H-indol-3-yl)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-3-4-9-26-19-18(20(28)24-21(26)29)25(2)16(23-19)12-30-17(27)10-13-11-22-15-8-6-5-7-14(13)15/h5-8,11,22H,3-4,9-10,12H2,1-2H3,(H,24,28,29)