1-(3,4-dimethylphenyl)-4,6-bis(oxidanylidene)-5-[(piperidin-1-ium-1-ylamino)methylidene]pyrimidin-2-olate

Systemtic Name: 1-(3,4-dimethylphenyl)-4,6-bis(oxidanylidene)-5-[(piperidin-1-ium-1-ylamino)methylidene]pyrimidin-2-olate Openeye Name: 1-(3,4-dimethylphenyl)-4,6-dioxo-5-[(piperidin-1-ium-1-ylamino)methylene]pyrimidin-2-olate CAS Name: 1-(3,4-dimethylphenyl)-4,6-dioxo-5-[(1-piperidin-1-iumylamino)methylidene]-2-pyrimidinolate IUPAC Name: 1-(3,4-dimethylphenyl)-4,6-dioxo-5-[(piperidin-1-ium-1-ylamino)methylidene]pyrimidin-2-olate Traditional Name: 1-(3,4-dimethylphenyl)-4,6-diketo-5-[(piperidin-1-ium-1-ylamino)methylene]pyrimidin-2-olate Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CN[NH+]3CCCCC3)C(=O)N=C2[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CN[NH+]3CCCCC3)C(=O)N=C2[O-])C

InChI

InChI=1S/C18H22N4O3/c1-12-6-7-14(10-13(12)2)22-17(24)15(16(23)20-18(22)25)11-19-21-8-4-3-5-9-21/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H,20,23,25)