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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(dimethylamino)benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)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 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-5-6-10-25-17-16(18(26)22-20(25)28)24(4)15(21-17)12-29-19(27)13-8-7-9-14(11-13)23(2)3/h7-9,11H,5-6,10,12H2,1-4H3,(H,22,26,28)