[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(4-methoxyphenyl)propanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H26N4O5/c1-4-5-12-25-19-18(20(27)23-21(25)28)24(2)16(22-19)13-30-17(26)11-8-14-6-9-15(29-3)10-7-14/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,23,27,28)