1-(phenylmethyl)-1,3-diazinane-2,4,6-trione; propanenitrile

Systemtic Name: 1-(phenylmethyl)-1,3-diazinane-2,4,6-trione; propanenitrile Openeye Name: 1-benzylhexahydropyrimidine-2,4,6-trione; propanenitrile CAS Name: 1-(phenylmethyl)-1,3-diazinane-2,4,6-trione; propanenitrile IUPAC Name: 1-benzyl-1,3-diazinane-2,4,6-trione; propanenitrile Traditional Name: 1-benzylbarbituric acid; propionitrile Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCC#N.C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCC#N.C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H10N2O3.C3H5N/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8;1-2-3-4/h1-5H,6-7H2,(H,12,14,16);2H2,1H3