9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-phenylmethoxy-purin-2-amine

Systemtic Name: 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-phenylmethoxy-purin-2-amine Openeye Name: 6-benzyloxy-9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine CAS Name: 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-phenylmethoxy-2-purinamine IUPAC Name: 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-phenylmethoxypurin-2-amine Traditional Name: [6-benzoxy-9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-yl]amine Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C

Isomeric SMILES

CC1(OC[C@@H](O1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C

InChI

InChI=1S/C18H21N5O3/c1-18(2)25-10-13(26-18)8-23-11-20-14-15(23)21-17(19)22-16(14)24-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,19,21,22)/t13-/m0/s1