5-(butylaminomethylidene)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(butylaminomethylidene)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-(butylaminomethylene)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(butylaminomethylidene)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-(butylaminomethylidene)-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-(butylaminomethylene)barbituric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-2-3-9-17-10-13-14(20)18-16(22)19(15(13)21)11-12-7-5-4-6-8-12/h4-8,10,17H,2-3,9,11H2,1H3,(H,18,20,22)