1-(5-chloranyl-2-methyl-phenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: 1-(5-chloro-2-methyl-phenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-4,6-dioxo-pyrimidin-2-olate CAS Name: 1-(5-chloro-2-methylphenyl)-5-[[3-(4-morpholin-4-iumyl)propylamino]methylidene]-4,6-dioxo-2-pyrimidinolate IUPAC Name: 1-(5-chloro-2-methylphenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-4,6-dioxopyrimidin-2-olate Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4,6-diketo-5-[(3-morpholin-4-ium-4-ylpropylamino)methylene]pyrimidin-2-olate Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)C(=CNCCC[NH+]3CCOCC3)C(=O)N=C2[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)C(=CNCCC[NH+]3CCOCC3)C(=O)N=C2[O-]

InChI

InChI=1S/C19H23ClN4O4/c1-13-3-4-14(20)11-16(13)24-18(26)15(17(25)22-19(24)27)12-21-5-2-6-23-7-9-28-10-8-23/h3-4,11-12,21H,2,5-10H2,1H3,(H,22,25,27)