8-(butan-2-ylamino)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-(sec-butylamino)xanthine Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CCO)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CCO)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H19N5O3/c1-4-7(2)13-11-14-9-8(17(11)5-6-18)10(19)15-12(20)16(9)3/h7,18H,4-6H2,1-3H3,(H,13,14)(H,15,19,20)