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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C/C(=C\2/C=C(NC(=N2)N)C3CCCNC3)/C(=O)C=C1

InChI

InChI=1S/C17H22N4O/c1-2-11-5-6-16(22)13(8-11)15-9-14(20-17(18)21-15)12-4-3-7-19-10-12/h5-6,8-9,12,19H,2-4,7,10H2,1H3,(H3,18,20,21)/b15-13+