7-butyl-1,3,8-trimethyl-purine-2,6-dione; N-propylpropan-1-amine

Systemtic Name: 7-butyl-1,3,8-trimethyl-purine-2,6-dione; N-propylpropan-1-amine Openeye Name: 7-butyl-1,3,8-trimethyl-purine-2,6-dione; N-propylpropan-1-amine CAS Name: 7-butyl-1,3,8-trimethylpurine-2,6-dione; N-propyl-1-propanamine IUPAC Name: 7-butyl-1,3,8-trimethylpurine-2,6-dione; N-propylpropan-1-amine Traditional Name: 7-butyl-1,3,8-trimethyl-xanthine; dipropylamine Formula: C18H33N5O2 MolecularWeight: 351.48692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C.CCCNCCC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C.CCCNCCC

InChI

InChI=1S/C12H18N4O2.C6H15N/c1-5-6-7-16-8(2)13-10-9(16)11(17)15(4)12(18)14(10)3;1-3-5-7-6-4-2/h5-7H2,1-4H3;7H,3-6H2,1-2H3