3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-propan-2-ylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-propan-2-ylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H24N4O4/c1-13(2)14-6-8-15(9-7-14)19(26)28-11-5-10-24-18(25)16-17(21-12-22(16)3)23(4)20(24)27/h6-9,12-13H,5,10-11H2,1-4H3