[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 3-(diethylaminomethyl)benzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 3-(diethylaminomethyl)benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl 3-(diethylaminomethyl)benzoate CAS Name: 3-(diethylaminomethyl)benzoic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl 3-(diethylaminomethyl)benzoate Traditional Name: 3-(diethylaminomethyl)benzoic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC(=C1)C(=O)OCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN(CC)CC1=CC=CC(=C1)C(=O)OCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

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