9-[2,3-bis(oxidanyl)propyl]-2-phenylazanyl-3H-purin-6-one

Systemtic Name: 9-[2,3-bis(oxidanyl)propyl]-2-phenylazanyl-3H-purin-6-one Openeye Name: 2-anilino-9-(2,3-dihydroxypropyl)-3H-purin-6-one CAS Name: 2-anilino-9-(2,3-dihydroxypropyl)-3H-purin-6-one IUPAC Name: 2-anilino-9-(2,3-dihydroxypropyl)-3H-purin-6-one Traditional Name: 2-anilino-9-glyceryl-3H-purin-6-one Formula: C14H15N5O3 MolecularWeight: 301.3006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CC(CO)O

InChI

InChI=1S/C14H15N5O3/c20-7-10(21)6-19-8-15-11-12(19)17-14(18-13(11)22)16-9-4-2-1-3-5-9/h1-5,8,10,20-21H,6-7H2,(H2,16,17,18,22)