2-azanyl-9-[[(2S)-1-azanyl-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S)-1-azanyl-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S)-1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-1-amino-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-1-amino-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S)-1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C9H14N6O3 MolecularWeight: 254.24586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CN)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CO[C@@H](CN)CO)NC(=NC2=O)N

InChI

InChI=1S/C9H14N6O3/c10-1-5(2-16)18-4-15-3-12-6-7(15)13-9(11)14-8(6)17/h3,5,16H,1-2,4,10H2,(H3,11,13,14,17)/t5-/m0/s1