2-azanyl-9-(1-phenylmethoxypropan-2-yloxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(1-phenylmethoxypropan-2-yloxymethyl)-3H-purin-6-one Openeye Name: 2-amino-9-[(2-benzyloxy-1-methyl-ethoxy)methyl]-3H-purin-6-one CAS Name: 2-amino-9-(1-phenylmethoxypropan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(1-phenylmethoxypropan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-[(2-benzoxy-1-methyl-ethoxy)methyl]-3H-purin-6-one Formula: C16H19N5O3 MolecularWeight: 329.35376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H19N5O3/c1-11(7-23-8-12-5-3-2-4-6-12)24-10-21-9-18-13-14(21)19-16(17)20-15(13)22/h2-6,9,11H,7-8,10H2,1H3,(H3,17,19,20,22)