3-butyl-8-(4-dimethylaminophenyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(4-dimethylaminophenyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(4-dimethylaminophenyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(4-dimethylaminophenyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-(4-dimethylaminophenyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-(4-dimethylaminophenyl)-7-propyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N(C)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N(C)C)CCC

InChI

InChI=1S/C20H27N5O2/c1-5-7-13-25-18-16(19(26)22-20(25)27)24(12-6-2)17(21-18)14-8-10-15(11-9-14)23(3)4/h8-11H,5-7,12-13H2,1-4H3,(H,22,26,27)