3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,5-dimethylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,5-dimethylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C19H22N4O4/c1-12-6-7-13(2)14(10-12)18(25)27-9-5-8-23-17(24)15-16(20-11-21(15)3)22(4)19(23)26/h6-7,10-11H,5,8-9H2,1-4H3