N-[9-[3-(hydroxymethyl)cyclobutyl]-6-oxidanylidene-3H-purin-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[9-[3-(hydroxymethyl)cyclobutyl]-6-oxidanylidene-3H-purin-2-yl]-2-phenyl-ethanamide Openeye Name: N-[9-[3-(hydroxymethyl)cyclobutyl]-6-oxo-3H-purin-2-yl]-2-phenyl-acetamide CAS Name: N-[9-[3-(hydroxymethyl)cyclobutyl]-6-oxo-3H-purin-2-yl]-2-phenylacetamide IUPAC Name: N-[9-[3-(hydroxymethyl)cyclobutyl]-6-oxo-3H-purin-2-yl]-2-phenylacetamide Traditional Name: N-[6-keto-9-(3-methylolcyclobutyl)-3H-purin-2-yl]-2-phenyl-acetamide Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1N2C=NC3=C2NC(=NC3=O)NC(=O)CC4=CC=CC=C4)CO

Isomeric SMILES

C1C(CC1N2C=NC3=C2NC(=NC3=O)NC(=O)CC4=CC=CC=C4)CO

InChI

InChI=1S/C18H19N5O3/c24-9-12-6-13(7-12)23-10-19-15-16(23)21-18(22-17(15)26)20-14(25)8-11-4-2-1-3-5-11/h1-5,10,12-13,24H,6-9H2,(H2,20,21,22,25,26)