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

Systemtic Name: 3-butyl-7-propyl-8-(propylaminomethyl)purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-(propylaminomethyl)purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-(propylaminomethyl)purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-(propylaminomethyl)purine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-(propylaminomethyl)xanthine Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC)CCC

InChI

InChI=1S/C16H27N5O2/c1-4-7-10-21-14-13(15(22)19-16(21)23)20(9-6-3)12(18-14)11-17-8-5-2/h17H,4-11H2,1-3H3,(H,19,22,23)