(6E)-3-butoxy-6-[5-[5-(4-butylphenyl)pyrimidin-2-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-butoxy-6-[5-[5-(4-butylphenyl)pyrimidin-2-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-butoxy-6-[5-[5-(4-butylphenyl)pyrimidin-2-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-butoxy-6-[5-[5-(4-butylphenyl)-2-pyrimidinyl]-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-butoxy-6-[5-[5-(4-butylphenyl)pyrimidin-2-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-butoxy-6-[5-[5-(4-butylphenyl)pyrimidin-2-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CNC(=C4C=CC(=CC4=O)OCCCC)N=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CN/C(=C\4/C=CC(=CC4=O)OCCCC)/N=C3

InChI

InChI=1S/C28H30N4O2/c1-3-5-7-20-8-10-21(11-9-20)22-16-29-27(30-17-22)23-18-31-28(32-19-23)25-13-12-24(15-26(25)33)34-14-6-4-2/h8-13,15-19,31H,3-7,14H2,1-2H3/b28-25+