8-(ethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(ethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(ethylamino)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(ethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(ethylamino)-7-isoamyl-3-methyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H21N5O2/c1-5-14-12-15-10-9(18(12)7-6-8(2)3)11(19)16-13(20)17(10)4/h8H,5-7H2,1-4H3,(H,14,15)(H,16,19,20)