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

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-(2-phenoxypropoxy)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(2-phenoxypropoxy)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-(2-phenoxypropoxy)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-(2-phenoxypropoxy)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(2-phenoxypropoxy)cyclohexa-2,4-dien-1-one Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCNC3)OC4=CC=CC=C4

Isomeric SMILES

CC(COC\1=CC=CC(=O)/C1=C/2\C=C(NC(=N2)N)C3CCCNC3)OC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-16(31-18-8-3-2-4-9-18)15-30-22-11-5-10-21(29)23(22)20-13-19(27-24(25)28-20)17-7-6-12-26-14-17/h2-5,8-11,13,16-17,26H,6-7,12,14-15H2,1H3,(H3,25,27,28)/b23-20-