[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-chloranylphenoxy)ethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-chloranylphenoxy)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(2-chlorophenoxy)acetate CAS Name: 2-(2-chlorophenoxy)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-(2-chlorophenoxy)acetate Traditional Name: 2-(2-chlorophenoxy)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3Cl)C

InChI

InChI=1S/C19H21ClN4O5/c1-3-4-9-24-17-16(18(26)22-19(24)27)23(2)14(21-17)10-29-15(25)11-28-13-8-6-5-7-12(13)20/h5-8H,3-4,9-11H2,1-2H3,(H,22,26,27)