8-(ethylamino)-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(ethylamino)-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(ethylamino)-7-[(2S)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-[(2S)-2-hydroxypropyl]-3-methyl-xanthine Formula: C11H17N5O3 MolecularWeight: 267.28438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1C[C@H](C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C11H17N5O3/c1-4-12-10-13-8-7(16(10)5-6(2)17)9(18)14-11(19)15(8)3/h6,17H,4-5H2,1-3H3,(H,12,13)(H,14,18,19)/t6-/m0/s1