1-(2-methylphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-methylphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(o-tolyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5-[1-[2-(1-piperazinyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(o-tolyl)-5-[1-(2-piperazinoethylamino)ethylidene]barbituric acid Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(C)NCCN3CCNCC3)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(C)NCCN3CCNCC3)C(=O)NC2=O

InChI

InChI=1S/C19H25N5O3/c1-13-5-3-4-6-15(13)24-18(26)16(17(25)22-19(24)27)14(2)21-9-12-23-10-7-20-8-11-23/h3-6,20-21H,7-12H2,1-2H3,(H,22,25,27)