2-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]ethanenitrile

Systemtic Name: 2-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]ethanenitrile Openeye Name: 2-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]acetonitrile CAS Name: 2-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]acetonitrile IUPAC Name: 2-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]acetonitrile Traditional Name: 2-[2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]acetonitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)CC#N

InChI

InChI=1S/C16H18N4O/c17-11-10-14-13(15(21)20-16(18)19-14)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H3,18,19,20,21)