[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O4/c1-3-5-9-25-16-15(17(26)23-19(25)28)24(8-4-2)14(22-16)11-29-18(27)12-6-7-13(20)21-10-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,23,26,28)