[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-chloranyl-2-oxidanyl-benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C18H19ClN4O5 MolecularWeight: 406.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)Cl)O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)Cl)O)C

InChI

InChI=1S/C18H19ClN4O5/c1-3-4-7-23-15-14(16(25)21-18(23)27)22(2)13(20-15)9-28-17(26)11-6-5-10(19)8-12(11)24/h5-6,8,24H,3-4,7,9H2,1-2H3,(H,21,25,27)