[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl naphthalene-1-carboxylate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl naphthalene-1-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O4/c1-3-4-12-26-19-18(20(27)24-22(26)29)25(2)17(23-19)13-30-21(28)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,24,27,29)