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

Systemtic Name: 2-[6-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]ethanenitrile Openeye Name: 2-[6-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]acetonitrile CAS Name: 2-[6-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]acetonitrile IUPAC Name: 2-[6-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]acetonitrile Traditional Name: 2-[6-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]acetonitrile Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=N3)CC#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=N3)CC#N

InChI

InChI=1S/C17H19N7O2/c1-2-3-9-26-16-22-14(19)13-15(23-16)24(17(25)21-13)10-12-6-4-5-11(20-12)7-8-18/h4-6H,2-3,7,9-10H2,1H3,(H,21,25)(H2,19,22,23)