4-[[4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methyl-amino]butanenitrile

Systemtic Name: 4-[[4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methyl-amino]butanenitrile Openeye Name: 4-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methyl-amino]butanenitrile CAS Name: 4-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methylamino]butanenitrile IUPAC Name: 4-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methylamino]butanenitrile Traditional Name: 4-[[4-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]benzyl]-methyl-amino]butyronitrile Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC#N)CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)OCCOC)N)NC2=O

Isomeric SMILES

CN(CCCC#N)CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)OCCOC)N)NC2=O

InChI

InChI=1S/C21H27N7O3/c1-27(10-4-3-9-22)13-15-5-7-16(8-6-15)14-28-19-17(24-21(28)29)18(23)25-20(26-19)31-12-11-30-2/h5-8H,3-4,10-14H2,1-2H3,(H,24,29)(H2,23,25,26)