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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-ethoxybenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic 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-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C19H22N4O5/c1-4-27-14-9-6-5-8-13(14)18(25)28-11-7-10-23-17(24)15-16(20-12-21(15)2)22(3)19(23)26/h5-6,8-9,12H,4,7,10-11H2,1-3H3