1-[4-[3-(6-azanyl-7H-purin-8-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-(6-azanyl-7H-purin-8-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(6-amino-7H-purin-8-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-(6-amino-7H-purin-8-yl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(6-amino-7H-purin-8-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-(6-amino-7H-purin-8-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CC2=NC3=C(N2)C(=NC=N3)N)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CC2=NC3=C(N2)C(=NC=N3)N)O

InChI

InChI=1S/C16H17N5O3/c1-9(22)10-2-4-12(5-3-10)24-7-11(23)6-13-20-14-15(17)18-8-19-16(14)21-13/h2-5,8,11,23H,6-7H2,1H3,(H3,17,18,19,20,21)