2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N'-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]thio]-N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]sulfanyl-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-[[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]thio]-N'-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NNC=C3C=CC(=O)C(=C3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NNC=C3C=CC(=O)C(=C3)OC

InChI

InChI=1S/C21H27N5O3S/c1-15-11-20(24-21(23-15)26-9-5-3-4-6-10-26)30-14-19(28)25-22-13-16-7-8-17(27)18(12-16)29-2/h7-8,11-13,22H,3-6,9-10,14H2,1-2H3,(H,25,28)