[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(dimethylamino)benzoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(dimethylamino)benzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-5-7-12-27-19-18(20(28)24-22(27)30)26(11-6-2)17(23-19)14-31-21(29)15-9-8-10-16(13-15)25(3)4/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,24,28,30)