[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methoxybenzoate

Systemtic Name: [3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methoxybenzoate Openeye Name: (3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)methyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [3-butyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methyl ester IUPAC Name: [3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methyl 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid (3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3OC)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3OC)CCC(C)C

InChI

InChI=1S/C23H30N4O5/c1-5-6-12-27-20-19(21(28)25-23(27)30)26(13-11-15(2)3)18(24-20)14-32-22(29)16-9-7-8-10-17(16)31-4/h7-10,15H,5-6,11-14H2,1-4H3,(H,25,28,30)