1-(3-chloranyl-4-methyl-phenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-[(3-pyridylmethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chloro-4-methylphenyl)-5-[(3-pyridinylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-[(3-pyridylmethylamino)methylene]barbituric acid Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=O)Cl

InChI

InChI=1S/C18H15ClN4O3/c1-11-4-5-13(7-15(11)19)23-17(25)14(16(24)22-18(23)26)10-21-9-12-3-2-6-20-8-12/h2-8,10,21H,9H2,1H3,(H,22,24,26)