3-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]propanenitrile

Systemtic Name: 3-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]propanenitrile Openeye Name: 3-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]propanenitrile CAS Name: 3-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]propanenitrile IUPAC Name: 3-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]propanenitrile Traditional Name: 3-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)propionitrile Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCC#N)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCC#N)N(C(=N2)CO)CCC

InChI

InChI=1S/C16H23N5O3/c1-3-5-9-20-14-13(19(8-4-2)12(11-22)18-14)15(23)21(16(20)24)10-6-7-17/h22H,3-6,8-11H2,1-2H3