3-methyl-1,7-dipentyl-purine-2,6-dione

Systemtic Name: 3-methyl-1,7-dipentyl-purine-2,6-dione Openeye Name: 3-methyl-1,7-dipentyl-purine-2,6-dione CAS Name: 3-methyl-1,7-dipentylpurine-2,6-dione IUPAC Name: 3-methyl-1,7-dipentylpurine-2,6-dione Traditional Name: 1,7-diamyl-3-methyl-xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC

Isomeric SMILES

CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC

InChI

InChI=1S/C16H26N4O2/c1-4-6-8-10-19-12-17-14-13(19)15(21)20(11-9-7-5-2)16(22)18(14)3/h12H,4-11H2,1-3H3