2-[4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]phenyl]ethanenitrile Openeye Name: 2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetonitrile CAS Name: 2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetonitrile IUPAC Name: 2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetonitrile Traditional Name: 2-[4-(1-butyl-2,6-diketo-3,7-dihydropurin-8-yl)phenyl]acetonitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H17N5O2/c1-2-3-10-22-16(23)13-15(21-17(22)24)20-14(19-13)12-6-4-11(5-7-12)8-9-18/h4-7H,2-3,8,10H2,1H3,(H,19,20)(H,21,24)