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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(dimethylamino)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C19H23N5O4/c1-21(2)14-8-5-7-13(11-14)18(26)28-10-6-9-24-17(25)15-16(20-12-22(15)3)23(4)19(24)27/h5,7-8,11-12H,6,9-10H2,1-4H3