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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-ethylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic 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:

CCC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

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