2-[6-[(phenylmethyl)amino]purin-7-yl]oxane-3,4,5-triol

Systemtic Name: 2-[6-[(phenylmethyl)amino]purin-7-yl]oxane-3,4,5-triol Openeye Name: 2-[6-(benzylamino)purin-7-yl]tetrahydropyran-3,4,5-triol CAS Name: 2-[6-[(phenylmethyl)amino]-7-purinyl]oxane-3,4,5-triol IUPAC Name: 2-[6-(benzylamino)purin-7-yl]oxane-3,4,5-triol Traditional Name: 2-[6-(benzylamino)purin-7-yl]tetrahydropyran-3,4,5-triol Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=NC3=C2C(=NC=N3)NCC4=CC=CC=C4)O)O)O

Isomeric SMILES

C1C(C(C(C(O1)N2C=NC3=C2C(=NC=N3)NCC4=CC=CC=C4)O)O)O

InChI

InChI=1S/C17H19N5O4/c23-11-7-26-17(14(25)13(11)24)22-9-21-16-12(22)15(19-8-20-16)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)