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

Systemtic Name: (6E)-6-[2-azanyl-6-[1-(2-azanyl-3-phenyl-propanoyl)piperidin-3-yl]-1H-pyrimidin-4-ylidene]-4-ethyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-[1-(2-amino-3-phenyl-propanoyl)-3-piperidyl]-1H-pyrimidin-4-ylidene]-4-ethyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-[1-(2-amino-1-oxo-3-phenylpropyl)-3-piperidinyl]-1H-pyrimidin-4-ylidene]-4-ethyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-6-[1-(2-amino-3-phenylpropanoyl)piperidin-3-yl]-1H-pyrimidin-4-ylidene]-4-ethylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(1-phenylalanyl-3-piperidyl)-1H-pyrimidin-4-ylidene]-4-ethyl-cyclohexa-2,4-dien-1-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=C(NC(=N2)N)C3CCCN(C3)C(=O)C(CC4=CC=CC=C4)N)C(=O)C=C1

Isomeric SMILES

CCC1=C/C(=C\2/C=C(NC(=N2)N)C3CCCN(C3)C(=O)C(CC4=CC=CC=C4)N)/C(=O)C=C1

InChI

InChI=1S/C26H31N5O2/c1-2-17-10-11-24(32)20(13-17)23-15-22(29-26(28)30-23)19-9-6-12-31(16-19)25(33)21(27)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,15,19,21H,2,6,9,12,14,16,27H2,1H3,(H3,28,29,30)/b23-20+