9-(5-oxidanylpentyl)-2-phenylazanyl-3H-purin-6-one

Systemtic Name: 9-(5-oxidanylpentyl)-2-phenylazanyl-3H-purin-6-one Openeye Name: 2-anilino-9-(5-hydroxypentyl)-3H-purin-6-one CAS Name: 2-anilino-9-(5-hydroxypentyl)-3H-purin-6-one IUPAC Name: 2-anilino-9-(5-hydroxypentyl)-3H-purin-6-one Traditional Name: 2-anilino-9-(5-hydroxypentyl)-3H-purin-6-one Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2/c22-10-6-2-5-9-21-11-17-13-14(21)19-16(20-15(13)23)18-12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H2,18,19,20,23)