2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]furan-2-yl]ethanenitrile

Systemtic Name: 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]furan-2-yl]ethanenitrile Openeye Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-furyl]acetonitrile CAS Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-furanyl]acetonitrile IUPAC Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]furan-2-yl]acetonitrile Traditional Name: 2-[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-furyl]acetonitrile Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(O3)CC#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(O3)CC#N

InChI

InChI=1S/C16H18N6O3/c1-2-3-8-24-15-20-13(18)12-14(21-15)22(16(23)19-12)9-11-5-4-10(25-11)6-7-17/h4-5H,2-3,6,8-9H2,1H3,(H,19,23)(H2,18,20,21)