2-(3-methylphenoxy)ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-(3-methylphenoxy)ethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid 2-(3-methylphenoxy)ethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N4O5/c1-12-5-4-6-13(9-12)26-7-8-27-14(23)10-22-11-19-16-15(22)17(24)21(3)18(25)20(16)2/h4-6,9,11H,7-8,10H2,1-3H3