2-azanyl-9-[(1S,3S,4R,5R)-4-(hydroxymethyl)-3-oxidanyl-5-phenylmethoxy-cyclohexyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1S,3S,4R,5R)-4-(hydroxymethyl)-3-oxidanyl-5-phenylmethoxy-cyclohexyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,3R,4R,5S)-3-benzyloxy-5-hydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,3S,4R,5R)-3-hydroxy-4-(hydroxymethyl)-5-phenylmethoxycyclohexyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,3S,4R,5R)-3-hydroxy-4-(hydroxymethyl)-5-phenylmethoxycyclohexyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,3R,4R,5S)-3-benzoxy-5-hydroxy-4-methylol-cyclohexyl]-3H-purin-6-one Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1O)CO)OCC2=CC=CC=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1[C@@H](C[C@H]([C@@H]([C@H]1O)CO)OCC2=CC=CC=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C19H23N5O4/c20-19-22-17-16(18(27)23-19)21-10-24(17)12-6-14(26)13(8-25)15(7-12)28-9-11-4-2-1-3-5-11/h1-5,10,12-15,25-26H,6-9H2,(H3,20,22,23,27)/t12-,13+,14-,15+/m0/s1