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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-(diethylamino)benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid (3-butyl-2,6-diketo-7-methyl-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=C(C=C3)N(CC)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-5-8-13-27-19-18(20(28)24-22(27)30)25(4)17(23-19)14-31-21(29)15-9-11-16(12-10-15)26(6-2)7-3/h9-12H,5-8,13-14H2,1-4H3,(H,24,28,30)