dimethylamino-[4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylimino]-1,3-thiazol-5-ylidene]methanolate

Systemtic Name: dimethylamino-[4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylimino]-1,3-thiazol-5-ylidene]methanolate Openeye Name: dimethylamino-[4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]imino-thiazol-5-ylidene]methanolate CAS Name: dimethylamino-[4-methyl-2-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]imino-5-thiazolylidene]methanolate IUPAC Name: dimethylamino-[4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]imino-1,3-thiazol-5-ylidene]methanolate Traditional Name: dimethylamino-[4-methyl-2-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]imino-3-thiazolin-5-ylidene]methanolate Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)SC1=C(N(C)C)[O-]

Isomeric SMILES

CC1=NC(=NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)SC1=C(N(C)C)[O-]

InChI

InChI=1S/C17H23N7O2S/c1-12-14(15(26)22(2)3)27-17(20-12)21-13(25)11-23-7-9-24(10-8-23)16-18-5-4-6-19-16/h4-6,26H,7-11H2,1-3H3