2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]-4,4-diethoxy-butan-1-ol

Systemtic Name: 2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]-4,4-diethoxy-butan-1-ol Openeye Name: 2-[(2-amino-6-benzyloxy-purin-9-yl)methyl]-4,4-diethoxy-butan-1-ol CAS Name: 2-[(2-amino-6-phenylmethoxy-9-purinyl)methyl]-4,4-diethoxy-1-butanol IUPAC Name: 2-[(2-amino-6-phenylmethoxypurin-9-yl)methyl]-4,4-diethoxybutan-1-ol Traditional Name: 2-[(2-amino-6-benzoxy-purin-9-yl)methyl]-4,4-diethoxy-butan-1-ol Formula: C21H29N5O4 MolecularWeight: 415.48606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)CO)OCC

Isomeric SMILES

CCOC(CC(CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)CO)OCC

InChI

InChI=1S/C21H29N5O4/c1-3-28-17(29-4-2)10-16(12-27)11-26-14-23-18-19(26)24-21(22)25-20(18)30-13-15-8-6-5-7-9-15/h5-9,14,16-17,27H,3-4,10-13H2,1-2H3,(H2,22,24,25)