(6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-ethyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-ethyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-ethyl-cyclohexa-2,4-dien-1-one Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCNC3

Isomeric SMILES

CCC\1=CC=CC(=O)/C1=C/2\C=C(NC(=N2)N)C3CCCNC3

InChI

InChI=1S/C17H22N4O/c1-2-11-5-3-7-15(22)16(11)14-9-13(20-17(18)21-14)12-6-4-8-19-10-12/h3,5,7,9,12,19H,2,4,6,8,10H2,1H3,(H3,18,20,21)/b16-14+