1-(3,4-dimethylphenyl)-5-[(3-piperidin-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-piperidin-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[[3-(1-piperidyl)propylamino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[[3-(1-piperidinyl)propylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(3-piperidin-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-[(3-piperidinopropylamino)methylene]barbituric acid Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNCCCN3CCCCC3)C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CNCCCN3CCCCC3)C(=O)NC2=O)C

InChI

InChI=1S/C21H28N4O3/c1-15-7-8-17(13-16(15)2)25-20(27)18(19(26)23-21(25)28)14-22-9-6-12-24-10-4-3-5-11-24/h7-8,13-14,22H,3-6,9-12H2,1-2H3,(H,23,26,28)