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

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-ethoxy-cyclohexa-2,4-dien-1-one Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCNC3

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-2-23-15-7-3-6-14(22)16(15)13-9-12(20-17(18)21-13)11-5-4-8-19-10-11/h3,6-7,9,11,19H,2,4-5,8,10H2,1H3,(H3,18,20,21)/b16-13-