5-[(butan-2-ylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(butan-2-ylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[(sec-butylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(butan-2-ylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[(butan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[(sec-butylamino)methylene]barbituric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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