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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(2-methylpropoxy)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)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 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C21H26N4O5/c1-14(2)12-30-16-8-6-15(7-9-16)20(27)29-11-5-10-25-19(26)17-18(22-13-23(17)3)24(4)21(25)28/h6-9,13-14H,5,10-12H2,1-4H3